2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

C10H10N2O — CID 2768260

IUPAC2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C10H10N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13)
InChIKeyJSLZOLIKGOFOOE-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.13
Rot. Bonds

About 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 2768260) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID2768260
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C10H10N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13)
InChIKeyJSLZOLIKGOFOOE-UHFFFAOYSA-N
XLogP1.13
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-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-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 2768260) is 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is N#Cc1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is JSLZOLIKGOFOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13).
What are the key properties of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 2768260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).