(E)-2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

Formula:C13H15N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
MolecularFormula	C13H15N3O
Smiles	N#C/C(/C(N1CCCCC1)=O)=C\c1ccc[nH]1
InChI	InChI=1S/C13H15N3O/c14-10-11(9-12-5-4-6-15-12)13(17)16-7-2-1-3-8-16/h4-6,9,15H,1-3,7-8H2
InChIK	NSTFNUWWMSNXQS-UHFFFAOYSA-N
TotalMolweight	229.282
Molweight	229.282
MonoisotopicMass	229.121512
CLogP	1.4556
CLogS	-1.905
H Acceptors	4
H Donors	1
TotalSurfaceArea	192.6
Relative PSA	0.22918
PolarSurfaceArea	59.89
Druglikeness	-1.3838
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile | 2 - (E)-2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

Request More Details | (E)-2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments