1-(2-hydroxyethyl)cyclopropane-1-carbonitrile

C6H9NO — CID 117273842

IUPAC1-(2-hydroxyethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CCO)CC1
InChIInChI=1S/C6H9NO/c7-5-6(1-2-6)3-4-8/h8H,1-4H2
InChIKeyNFMCQNMBFLPELK-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds2

About 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile

1-(2-hydroxyethyl)cyclopropane-1-carbonitrile (PubChem CID 117273842) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)cyclopropane-1-carbonitrile
PubChem CID117273842
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-(2-hydroxyethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CCO)CC1
InChIInChI=1S/C6H9NO/c7-5-6(1-2-6)3-4-8/h8H,1-4H2
InChIKeyNFMCQNMBFLPELK-UHFFFAOYSA-N
XLogP0.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxyethyl)cyclopropane-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-(2-hydroxyethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile (CID 117273842) is 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile is N#CC1(CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile?
The InChIKey is NFMCQNMBFLPELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-6(1-2-6)3-4-8/h8H,1-4H2.
What are the key properties of 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile?
1-(2-hydroxyethyl)cyclopropane-1-carbonitrile has a molecular weight of 111.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 117273842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).