2-cyclopropyl-4-(hydroxymethyl)benzonitrile

C11H11NO — CID 118268979

IUPAC2-cyclopropyl-4-(hydroxymethyl)benzonitrile
SMILESN#Cc1ccc(CO)cc1C1CC1
InChIInChI=1S/C11H11NO/c12-6-10-2-1-8(7-13)5-11(10)9-3-4-9/h1-2,5,9,13H,3-4,7H2
InChIKeyYDSGVQSZRPSSHK-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.93
Rot. Bonds2

About 2-cyclopropyl-4-(hydroxymethyl)benzonitrile

2-cyclopropyl-4-(hydroxymethyl)benzonitrile (PubChem CID 118268979) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-cyclopropyl-4-(hydroxymethyl)benzonitrile.

Molecular Properties

Compound Name2-cyclopropyl-4-(hydroxymethyl)benzonitrile
PubChem CID118268979
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-cyclopropyl-4-(hydroxymethyl)benzonitrile
SMILESN#Cc1ccc(CO)cc1C1CC1
InChIInChI=1S/C11H11NO/c12-6-10-2-1-8(7-13)5-11(10)9-3-4-9/h1-2,5,9,13H,3-4,7H2
InChIKeyYDSGVQSZRPSSHK-UHFFFAOYSA-N
XLogP1.93
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-4-(hydroxymethyl)benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(hydroxymethyl)benzonitrile?
The IUPAC name of 2-cyclopropyl-4-(hydroxymethyl)benzonitrile (CID 118268979) is 2-cyclopropyl-4-(hydroxymethyl)benzonitrile.
What is the SMILES notation for 2-cyclopropyl-4-(hydroxymethyl)benzonitrile?
The canonical SMILES for 2-cyclopropyl-4-(hydroxymethyl)benzonitrile is N#Cc1ccc(CO)cc1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-(hydroxymethyl)benzonitrile?
The InChIKey is YDSGVQSZRPSSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-6-10-2-1-8(7-13)5-11(10)9-3-4-9/h1-2,5,9,13H,3-4,7H2.
What are the key properties of 2-cyclopropyl-4-(hydroxymethyl)benzonitrile?
2-cyclopropyl-4-(hydroxymethyl)benzonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(hydroxymethyl)benzonitrile is sourced from PubChem (CID 118268979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).