5-hydroxy-2-pyrrolidin-3-ylbenzonitrile

C11H12N2O — CID 130001602

IUPAC5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
SMILESN#Cc1cc(O)ccc1C1CCNC1
InChIInChI=1S/C11H12N2O/c12-6-9-5-10(14)1-2-11(9)8-3-4-13-7-8/h1-2,5,8,13-14H,3-4,7H2
InChIKeyZXNPDMQALZRRMS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.34
Rot. Bonds1

About 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile

5-hydroxy-2-pyrrolidin-3-ylbenzonitrile (PubChem CID 130001602) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile.

Molecular Properties

Compound Name5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
PubChem CID130001602
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
SMILESN#Cc1cc(O)ccc1C1CCNC1
InChIInChI=1S/C11H12N2O/c12-6-9-5-10(14)1-2-11(9)8-3-4-13-7-8/h1-2,5,8,13-14H,3-4,7H2
InChIKeyZXNPDMQALZRRMS-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-pyrrolidin-3-ylbenzonitrile
CID 130002472
5-hydroxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130632788
4-pyrrolidin-3-ylpyridine-3-carbonitrile
CID 115014147
3-pyrrolidin-3-ylphenol
CID 12937992
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-chloro-4-pyrrolidin-3-ylbenzonitrile
CID 84779303
4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
CID 168965451
3-pyrrolidin-3-ylbenzonitrile;hydrochloride
CID 139593331
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
2-hydroxy-5-piperidin-3-ylbenzonitrile
CID 84776785
4-(2-methylpropyl)-2-pyrrolidin-3-ylbenzonitrile
CID 167443572
3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile?
The IUPAC name of 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile (CID 130001602) is 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile.
What is the SMILES notation for 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile?
The canonical SMILES for 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile is N#Cc1cc(O)ccc1C1CCNC1.
What is the InChIKey of 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile?
The InChIKey is ZXNPDMQALZRRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-6-9-5-10(14)1-2-11(9)8-3-4-13-7-8/h1-2,5,8,13-14H,3-4,7H2.
What are the key properties of 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile?
5-hydroxy-2-pyrrolidin-3-ylbenzonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-pyrrolidin-3-ylbenzonitrile is sourced from PubChem (CID 130001602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).