3-methyl-4-oxoquinolizine-1-carbonitrile

C11H8N2O — CID 23257498

IUPAC3-methyl-4-oxoquinolizine-1-carbonitrile
SMILESCc1cc(C#N)c2ccccn2c1=O
InChIInChI=1S/C11H8N2O/c1-8-6-9(7-12)10-4-2-3-5-13(10)11(8)14/h2-6H,1H3
InChIKeyGVXWIQHOIUJIGM-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.48
Rot. Bonds

About 3-methyl-4-oxoquinolizine-1-carbonitrile

3-methyl-4-oxoquinolizine-1-carbonitrile (PubChem CID 23257498) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-methyl-4-oxoquinolizine-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-4-oxoquinolizine-1-carbonitrile
PubChem CID23257498
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3-methyl-4-oxoquinolizine-1-carbonitrile
SMILESCc1cc(C#N)c2ccccn2c1=O
InChIInChI=1S/C11H8N2O/c1-8-6-9(7-12)10-4-2-3-5-13(10)11(8)14/h2-6H,1H3
InChIKeyGVXWIQHOIUJIGM-UHFFFAOYSA-N
XLogP1.48
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxoquinolizine-1-carbonitrile?
The IUPAC name of 3-methyl-4-oxoquinolizine-1-carbonitrile (CID 23257498) is 3-methyl-4-oxoquinolizine-1-carbonitrile.
What is the SMILES notation for 3-methyl-4-oxoquinolizine-1-carbonitrile?
The canonical SMILES for 3-methyl-4-oxoquinolizine-1-carbonitrile is Cc1cc(C#N)c2ccccn2c1=O.
What is the InChIKey of 3-methyl-4-oxoquinolizine-1-carbonitrile?
The InChIKey is GVXWIQHOIUJIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-8-6-9(7-12)10-4-2-3-5-13(10)11(8)14/h2-6H,1H3.
What are the key properties of 3-methyl-4-oxoquinolizine-1-carbonitrile?
3-methyl-4-oxoquinolizine-1-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxoquinolizine-1-carbonitrile is sourced from PubChem (CID 23257498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).