2-oxo-4aH-quinoline-7-carbonitrile

C10H6N2O — CID 76845225

IUPAC2-oxo-4aH-quinoline-7-carbonitrile
SMILESN#CC1=CC2=NC(=O)C=CC2C=C1
InChIInChI=1S/C10H6N2O/c11-6-7-1-2-8-3-4-10(13)12-9(8)5-7/h1-5,8H
InChIKeyBFHMWLRIVRZIMA-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.16
Rot. Bonds

About 2-oxo-4aH-quinoline-7-carbonitrile

2-oxo-4aH-quinoline-7-carbonitrile (PubChem CID 76845225) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-oxo-4aH-quinoline-7-carbonitrile.

Molecular Properties

Compound Name2-oxo-4aH-quinoline-7-carbonitrile
PubChem CID76845225
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name2-oxo-4aH-quinoline-7-carbonitrile
SMILESN#CC1=CC2=NC(=O)C=CC2C=C1
InChIInChI=1S/C10H6N2O/c11-6-7-1-2-8-3-4-10(13)12-9(8)5-7/h1-5,8H
InChIKeyBFHMWLRIVRZIMA-UHFFFAOYSA-N
XLogP1.16
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4aH-quinoline-7-carbonitrile?
The IUPAC name of 2-oxo-4aH-quinoline-7-carbonitrile (CID 76845225) is 2-oxo-4aH-quinoline-7-carbonitrile.
What is the SMILES notation for 2-oxo-4aH-quinoline-7-carbonitrile?
The canonical SMILES for 2-oxo-4aH-quinoline-7-carbonitrile is N#CC1=CC2=NC(=O)C=CC2C=C1.
What is the InChIKey of 2-oxo-4aH-quinoline-7-carbonitrile?
The InChIKey is BFHMWLRIVRZIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-6-7-1-2-8-3-4-10(13)12-9(8)5-7/h1-5,8H.
What are the key properties of 2-oxo-4aH-quinoline-7-carbonitrile?
2-oxo-4aH-quinoline-7-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4aH-quinoline-7-carbonitrile is sourced from PubChem (CID 76845225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).