1-hydroxy-2-methylcyclopentane-1-carbonitrile

C7H11NO — CID 12743655

IUPAC1-hydroxy-2-methylcyclopentane-1-carbonitrile
SMILESCC1CCCC1(O)C#N
InChIInChI=1S/C7H11NO/c1-6-3-2-4-7(6,9)5-8/h6,9H,2-4H2,1H3
InChIKeyYIBMTUNZXDLNOD-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds

About 1-hydroxy-2-methylcyclopentane-1-carbonitrile

1-hydroxy-2-methylcyclopentane-1-carbonitrile (PubChem CID 12743655) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-hydroxy-2-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-2-methylcyclopentane-1-carbonitrile
PubChem CID12743655
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-hydroxy-2-methylcyclopentane-1-carbonitrile
SMILESCC1CCCC1(O)C#N
InChIInChI=1S/C7H11NO/c1-6-3-2-4-7(6,9)5-8/h6,9H,2-4H2,1H3
InChIKeyYIBMTUNZXDLNOD-UHFFFAOYSA-N
XLogP1.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

Analyze 1-hydroxy-2-methylcyclopentane-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 1-hydroxy-2-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-hydroxy-2-methylcyclopentane-1-carbonitrile (CID 12743655) is 1-hydroxy-2-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-hydroxy-2-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-hydroxy-2-methylcyclopentane-1-carbonitrile is CC1CCCC1(O)C#N.
What is the InChIKey of 1-hydroxy-2-methylcyclopentane-1-carbonitrile?
The InChIKey is YIBMTUNZXDLNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-2-4-7(6,9)5-8/h6,9H,2-4H2,1H3.
What are the key properties of 1-hydroxy-2-methylcyclopentane-1-carbonitrile?
1-hydroxy-2-methylcyclopentane-1-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 12743655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).