2-hydroxy-5-pyrrolidin-2-ylbenzonitrile

C11H12N2O — CID 77131425

IUPAC2-hydroxy-5-pyrrolidin-2-ylbenzonitrile
SMILESN#Cc1cc(C2CCCN2)ccc1O
InChIInChI=1S/C11H12N2O/c12-7-9-6-8(3-4-11(9)14)10-2-1-5-13-10/h3-4,6,10,13-14H,1-2,5H2
InChIKeyZBACNMWJBKCBBZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.69
Rot. Bonds1

About 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile

2-hydroxy-5-pyrrolidin-2-ylbenzonitrile (PubChem CID 77131425) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-pyrrolidin-2-ylbenzonitrile
PubChem CID77131425
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-hydroxy-5-pyrrolidin-2-ylbenzonitrile
SMILESN#Cc1cc(C2CCCN2)ccc1O
InChIInChI=1S/C11H12N2O/c12-7-9-6-8(3-4-11(9)14)10-2-1-5-13-10/h3-4,6,10,13-14H,1-2,5H2
InChIKeyZBACNMWJBKCBBZ-UHFFFAOYSA-N
XLogP1.69
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-methyl-4-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 66518349
2-hydroxy-5-piperidin-3-ylbenzonitrile
CID 84776785
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
5-hydroxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130632788
2-iodo-4-[(2S)-piperidin-2-yl]phenol
CID 130646263
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
5-[(2S)-pyrrolidin-2-yl]pyridine-2-carbonitrile
CID 55274675
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile?
The IUPAC name of 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile (CID 77131425) is 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile.
What is the SMILES notation for 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile?
The canonical SMILES for 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile is N#Cc1cc(C2CCCN2)ccc1O.
What is the InChIKey of 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile?
The InChIKey is ZBACNMWJBKCBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-7-9-6-8(3-4-11(9)14)10-2-1-5-13-10/h3-4,6,10,13-14H,1-2,5H2.
What are the key properties of 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile?
2-hydroxy-5-pyrrolidin-2-ylbenzonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-pyrrolidin-2-ylbenzonitrile is sourced from PubChem (CID 77131425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).