4-oxoquinolizine-1-carbonitrile

C10H6N2O — CID 15526323

IUPAC4-oxoquinolizine-1-carbonitrile
SMILESN#Cc1ccc(=O)n2ccccc12
InChIInChI=1S/C10H6N2O/c11-7-8-4-5-10(13)12-6-2-1-3-9(8)12/h1-6H
InChIKeyODZRQKJKMQMMNY-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.17
Rot. Bonds

About 4-oxoquinolizine-1-carbonitrile

4-oxoquinolizine-1-carbonitrile (PubChem CID 15526323) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-oxoquinolizine-1-carbonitrile.

Molecular Properties

Compound Name4-oxoquinolizine-1-carbonitrile
PubChem CID15526323
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name4-oxoquinolizine-1-carbonitrile
SMILESN#Cc1ccc(=O)n2ccccc12
InChIInChI=1S/C10H6N2O/c11-7-8-4-5-10(13)12-6-2-1-3-9(8)12/h1-6H
InChIKeyODZRQKJKMQMMNY-UHFFFAOYSA-N
XLogP1.17
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxoquinolizine-1-carbonitrile?
The IUPAC name of 4-oxoquinolizine-1-carbonitrile (CID 15526323) is 4-oxoquinolizine-1-carbonitrile.
What is the SMILES notation for 4-oxoquinolizine-1-carbonitrile?
The canonical SMILES for 4-oxoquinolizine-1-carbonitrile is N#Cc1ccc(=O)n2ccccc12.
What is the InChIKey of 4-oxoquinolizine-1-carbonitrile?
The InChIKey is ODZRQKJKMQMMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-7-8-4-5-10(13)12-6-2-1-3-9(8)12/h1-6H.
What are the key properties of 4-oxoquinolizine-1-carbonitrile?
4-oxoquinolizine-1-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoquinolizine-1-carbonitrile is sourced from PubChem (CID 15526323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).