4-oxoquinolizine-1,2-dicarbonitrile

C11H5N3O — CID 121218963

IUPAC4-oxoquinolizine-1,2-dicarbonitrile
SMILESN#Cc1cc(=O)n2ccccc2c1C#N
InChIInChI=1S/C11H5N3O/c12-6-8-5-11(15)14-4-2-1-3-10(14)9(8)7-13/h1-5H
InChIKeyYKSICYDUDMCUJT-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.04
Rot. Bonds

About 4-oxoquinolizine-1,2-dicarbonitrile

4-oxoquinolizine-1,2-dicarbonitrile (PubChem CID 121218963) has the molecular formula C11H5N3O and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-oxoquinolizine-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-oxoquinolizine-1,2-dicarbonitrile
PubChem CID121218963
Molecular FormulaC11H5N3O
Molecular Weight195.18 g/mol
Exact Mass195.04
IUPAC Name4-oxoquinolizine-1,2-dicarbonitrile
SMILESN#Cc1cc(=O)n2ccccc2c1C#N
InChIInChI=1S/C11H5N3O/c12-6-8-5-11(15)14-4-2-1-3-10(14)9(8)7-13/h1-5H
InChIKeyYKSICYDUDMCUJT-UHFFFAOYSA-N
XLogP1.04
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxoquinolizine-1,2-dicarbonitrile?
The IUPAC name of 4-oxoquinolizine-1,2-dicarbonitrile (CID 121218963) is 4-oxoquinolizine-1,2-dicarbonitrile.
What is the SMILES notation for 4-oxoquinolizine-1,2-dicarbonitrile?
The canonical SMILES for 4-oxoquinolizine-1,2-dicarbonitrile is N#Cc1cc(=O)n2ccccc2c1C#N.
What is the InChIKey of 4-oxoquinolizine-1,2-dicarbonitrile?
The InChIKey is YKSICYDUDMCUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O/c12-6-8-5-11(15)14-4-2-1-3-10(14)9(8)7-13/h1-5H.
What are the key properties of 4-oxoquinolizine-1,2-dicarbonitrile?
4-oxoquinolizine-1,2-dicarbonitrile has a molecular weight of 195.18 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoquinolizine-1,2-dicarbonitrile is sourced from PubChem (CID 121218963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).