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Chem 2 Pyrrolidone 2 | Cheminformatics

2-Pyrrolidone


  • SKU Code: CH138573
Chemical Name - 2-Pyrrolidone
Mol Weight - 85.1056
Smiles - O=C1NCCC1
Property Name Property Value
Mol Name2-Pyrrolidone
Molweight85.1056
Monoisotopic Mass85.052764
Clogp-0.1637
Clogs-0.837
H Acceptors2
H Donors1
Total Surface Area70.49
Relative Psa0.34757
Polar Surface Area29.1
Druglikeness-0.5688
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.66667
Molecular Complexity0.69315
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Rings Closures1
Small Rings1
Sp3 Atoms3
Amides1
SmilesO=C1NCCC1
InChIKeyInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIHNJBEVLQSNELDL-UHFFFAOYSA-N

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1 - 2-Pyrrolidone
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