1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile

C10H9NO — CID 66875026

IUPAC1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cccc(O)c2)CC1
InChIInChI=1S/C10H9NO/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6,12H,4-5H2
InChIKeyFTTRSXMWGQCQQS-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.95
Rot. Bonds1

About 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile

1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 66875026) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
PubChem CID66875026
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cccc(O)c2)CC1
InChIInChI=1S/C10H9NO/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6,12H,4-5H2
InChIKeyFTTRSXMWGQCQQS-UHFFFAOYSA-N
XLogP1.95
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxyphenyl)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-(3-hydroxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile (CID 66875026) is 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile is N#CC1(c2cccc(O)c2)CC1.
What is the InChIKey of 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is FTTRSXMWGQCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6,12H,4-5H2.
What are the key properties of 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile?
1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 66875026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).