(S)-1-benzyl-3-hydroxypyrrolidine-2,5-dione

Formula:C11H11NO3 CAS:101469-91-4 ChemrytIQ

PropertyValue
Casrn101469-91-4
MolName(S)-1-benzyl-3-hydroxypyrrolidine-2,5-dione
MolecularFormulaC11H11NO3
SmilesO[C@@H](CC(N1Cc2ccccc2)=O)C1=O
InChIInChI=1S/C11H11NO3/c13-9-6-10(14)12(11(9)15)7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2/t9-/m0/s1
InChIKVCPKAWKGCQTPCR-VIFPVBQESA-N
CanonicalSyTyLFy3e975765d8e03ef2
TotalMolweight205.212
Molweight205.212
MonoisotopicMass205.073894
CLogP0.089
CLogS-1.381
H Acceptors4
H Donors1
TotalSurfaceArea151.93
Relative PSA0.28125
PolarSurfaceArea57.61
Druglikeness4.76
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Molecula Flexibility0.53137
Molecular Complexity0.65353
Fragments1
Non HAtoms15
NonCHAtoms4
Electronegative Atoms4
StereoCenters1
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms4
Symmetricatoms2
Amides1
StereoConthis enantiomer
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187 ChemrytIQ
100020-95-9highnonelowC12H17OCl212.719-11.962 ChemrytIQ
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176 ChemrytIQ
100007-67-8highnonelowC5H7OClF2156.559-12.702 ChemrytIQ
1000303-67-2nonenonenoneC6H8N2O124.1432.717 ChemrytIQ
100010-99-9nonenonenoneC11H24O2188.31-23.185 ChemrytIQ
100033-59-8nonenonenoneC8H16N2140.2290.9406 ChemrytIQ
10001-30-6nonenonenoneC17H14O4282.294-0.8408 ChemrytIQ
1000-87-9nonenonenoneC7H1296.1723-2.6557 ChemrytIQ
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712 ChemrytIQ
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949 ChemrytIQ
1000339-33-2nonenonenoneC10H11NClF199.6550.76 ChemrytIQ
10001-52-2highhighnoneC11H10N6O3S306.3056.7202 ChemrytIQ
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216 ChemrytIQ
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926 ChemrytIQ
1000-41-5nonenonelowC10H18O154.252-9.05 ChemrytIQ
100-19-6nonenonenoneC8H7NO3165.148-7.0365 ChemrytIQ
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282 ChemrytIQ
100020-34-6nonenonenoneC13H18S2238.418-0.23079 ChemrytIQ
10000-51-8nonenonenoneC14H15NO3245.2770.10503 ChemrytIQ
100-44-7highhighnoneC7H7Cl126.586-2.365 ChemrytIQ
100-26-5nonenonenoneC7H5NO4167.12-1.5746 ChemrytIQ
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
10002-30-9nonenonenoneC12H9NOS215.2750.083087 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689 ChemrytIQ
100-81-2nonenonenoneC8H11N121.182-2.1005 ChemrytIQ
100-50-5nonenonehighC7H10O110.155-9.6048 ChemrytIQ
100-12-9nonenonenoneC8H9NO2151.164-7.7443 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
100004-79-3nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
100-10-7nonehighhighC9H11NO149.192-1.8715 ChemrytIQ
100-25-4nonenonenoneC6H4N2O4168.108-7.74 ChemrytIQ
100016-58-8nonehighnoneC19H19NO5341.3621.8385 ChemrytIQ
100004-80-6nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
1000-16-4nonenonenoneC13H30NO3P279.359-34.244 ChemrytIQ
100-75-4highhighhighC5H10N2O114.147-0.86877 ChemrytIQ
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731 ChemrytIQ
100-61-8highnonenoneC7H9N107.155-0.23765 ChemrytIQ
100007-55-4nonenonenoneC35H39O19763.676-1.2907 ChemrytIQ
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167 ChemrytIQ
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651 ChemrytIQ
100031-92-3nonenonehighC10H30OSi4278.691-53.619 ChemrytIQ
100-99-2nonenonelowC12H27Al198.328-22.009 ChemrytIQ
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756 ChemrytIQ
1000339-32-1nonenonenoneC11H14NF179.2370.6275 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
100-71-0nonenonenoneC7H9N107.155-2.2725 ChemrytIQ
100011-01-6nonenonenoneC9H18O2158.24-2.3462 ChemrytIQ
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197 ChemrytIQ
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815 ChemrytIQ
100-14-1highhighlowC7H6NO2Cl171.583-7.5061 ChemrytIQ
100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
100-51-6highhighhighC7H8O108.14-2.2456 ChemrytIQ
1000269-68-0nonenonenoneC14H24N4248.3730.99367 ChemrytIQ
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937 ChemrytIQ
100013-07-8nonenonenoneC18H32B.Li259.263-11.013 ChemrytIQ
100-23-2nonehighnoneC8H10N2O2166.179-5.0759 ChemrytIQ