3-(2-cyanoethyl)-2-hydroxybenzonitrile

C10H8N2O — CID 130865836

IUPAC3-(2-cyanoethyl)-2-hydroxybenzonitrile
SMILESN#CCCc1cccc(C#N)c1O
InChIInChI=1S/C10H8N2O/c11-6-2-5-8-3-1-4-9(7-12)10(8)13/h1,3-4,13H,2,5H2
InChIKeyZGKCAUXMOARSHS-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.72
Rot. Bonds2

About 3-(2-cyanoethyl)-2-hydroxybenzonitrile

3-(2-cyanoethyl)-2-hydroxybenzonitrile (PubChem CID 130865836) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-(2-cyanoethyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(2-cyanoethyl)-2-hydroxybenzonitrile
PubChem CID130865836
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name3-(2-cyanoethyl)-2-hydroxybenzonitrile
SMILESN#CCCc1cccc(C#N)c1O
InChIInChI=1S/C10H8N2O/c11-6-2-5-8-3-1-4-9(7-12)10(8)13/h1,3-4,13H,2,5H2
InChIKeyZGKCAUXMOARSHS-UHFFFAOYSA-N
XLogP1.72
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-cyanoethyl)-2-hydroxybenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(6-bromohexyl)-2-hydroxybenzonitrile
CID 140526945
3-[2-[2-[2-(2-cyanoethyl)phenyl]ethynyl]phenyl]propanenitrile
CID 134843592
methyl 2-cyano-6-(2-cyanoethyl)benzoate
CID 134649255
(3-cyano-2-hydroxyphenyl)azanium
CID 171811404
3-[2-(cyanomethyl)phenyl]propanenitrile
CID 55267785
3-(2-ethylphenyl)propanenitrile
CID 66922465
3-[(1R)-1-amino-2-cyanoethyl]-2-hydroxybenzonitrile
CID 55262773
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61317436
3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185
2-(2-bromoethyl)benzonitrile
CID 57227888
2-[3-(2-cyanophenyl)-2-oxopropyl]benzonitrile
CID 13459099

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoethyl)-2-hydroxybenzonitrile?
The IUPAC name of 3-(2-cyanoethyl)-2-hydroxybenzonitrile (CID 130865836) is 3-(2-cyanoethyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 3-(2-cyanoethyl)-2-hydroxybenzonitrile?
The canonical SMILES for 3-(2-cyanoethyl)-2-hydroxybenzonitrile is N#CCCc1cccc(C#N)c1O.
What is the InChIKey of 3-(2-cyanoethyl)-2-hydroxybenzonitrile?
The InChIKey is ZGKCAUXMOARSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-6-2-5-8-3-1-4-9(7-12)10(8)13/h1,3-4,13H,2,5H2.
What are the key properties of 3-(2-cyanoethyl)-2-hydroxybenzonitrile?
3-(2-cyanoethyl)-2-hydroxybenzonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoethyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 130865836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).