2-oxo-4aH-quinoline-3-carbonitrile

C10H6N2O — CID 71650373

IUPAC2-oxo-4aH-quinoline-3-carbonitrile
SMILESN#CC1=CC2C=CC=CC2=NC1=O
InChIInChI=1S/C10H6N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5,7H
InChIKeyQRXVMKZYFIHNLX-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.16
Rot. Bonds

About 2-oxo-4aH-quinoline-3-carbonitrile

2-oxo-4aH-quinoline-3-carbonitrile (PubChem CID 71650373) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-oxo-4aH-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4aH-quinoline-3-carbonitrile
PubChem CID71650373
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name2-oxo-4aH-quinoline-3-carbonitrile
SMILESN#CC1=CC2C=CC=CC2=NC1=O
InChIInChI=1S/C10H6N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5,7H
InChIKeyQRXVMKZYFIHNLX-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-3-carbonitrile?
The IUPAC name of 2-oxo-4aH-quinoline-3-carbonitrile (CID 71650373) is 2-oxo-4aH-quinoline-3-carbonitrile.
What is the SMILES notation for 2-oxo-4aH-quinoline-3-carbonitrile?
The canonical SMILES for 2-oxo-4aH-quinoline-3-carbonitrile is N#CC1=CC2C=CC=CC2=NC1=O.
What is the InChIKey of 2-oxo-4aH-quinoline-3-carbonitrile?
The InChIKey is QRXVMKZYFIHNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5,7H.
What are the key properties of 2-oxo-4aH-quinoline-3-carbonitrile?
2-oxo-4aH-quinoline-3-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-3-carbonitrile is sourced from PubChem (CID 71650373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).