2-(hydroxymethyl)cyclobutane-1-carbonitrile

C6H9NO — CID 13129688

IUPAC2-(hydroxymethyl)cyclobutane-1-carbonitrile
SMILESN#CC1CCC1CO
InChIInChI=1S/C6H9NO/c7-3-5-1-2-6(5)4-8/h5-6,8H,1-2,4H2
InChIKeyURKDOYJBSPWFNW-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.53
Rot. Bonds1

About 2-(hydroxymethyl)cyclobutane-1-carbonitrile

2-(hydroxymethyl)cyclobutane-1-carbonitrile (PubChem CID 13129688) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)cyclobutane-1-carbonitrile
PubChem CID13129688
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-(hydroxymethyl)cyclobutane-1-carbonitrile
SMILESN#CC1CCC1CO
InChIInChI=1S/C6H9NO/c7-3-5-1-2-6(5)4-8/h5-6,8H,1-2,4H2
InChIKeyURKDOYJBSPWFNW-UHFFFAOYSA-N
XLogP0.53
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)cyclobutane-1-carbonitrile 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-(hydroxymethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)cyclobutane-1-carbonitrile (CID 13129688) is 2-(hydroxymethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)cyclobutane-1-carbonitrile is N#CC1CCC1CO.
What is the InChIKey of 2-(hydroxymethyl)cyclobutane-1-carbonitrile?
The InChIKey is URKDOYJBSPWFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-3-5-1-2-6(5)4-8/h5-6,8H,1-2,4H2.
What are the key properties of 2-(hydroxymethyl)cyclobutane-1-carbonitrile?
2-(hydroxymethyl)cyclobutane-1-carbonitrile has a molecular weight of 111.14 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 13129688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).