2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile

C14H12N2O2 — CID 565362

IUPAC2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile
SMILESN#CC(C#N)(C1=CC(=O)CC1)C1C=CC(=O)CC1
InChIInChI=1S/C14H12N2O2/c15-8-14(9-16,11-3-6-13(18)7-11)10-1-4-12(17)5-2-10/h1,4,7,10H,2-3,5-6H2
InChIKeyREIQTUIAFMPGKZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.84
Rot. Bonds2

About 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile

2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile (PubChem CID 565362) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile.

Molecular Properties

Compound Name2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile
PubChem CID565362
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile
SMILESN#CC(C#N)(C1=CC(=O)CC1)C1C=CC(=O)CC1
InChIInChI=1S/C14H12N2O2/c15-8-14(9-16,11-3-6-13(18)7-11)10-1-4-12(17)5-2-10/h1,4,7,10H,2-3,5-6H2
InChIKeyREIQTUIAFMPGKZ-UHFFFAOYSA-N
XLogP1.84
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile?
The IUPAC name of 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile (CID 565362) is 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile.
What is the SMILES notation for 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile?
The canonical SMILES for 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile is N#CC(C#N)(C1=CC(=O)CC1)C1C=CC(=O)CC1.
What is the InChIKey of 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile?
The InChIKey is REIQTUIAFMPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-8-14(9-16,11-3-6-13(18)7-11)10-1-4-12(17)5-2-10/h1,4,7,10H,2-3,5-6H2.
What are the key properties of 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile?
2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile has a molecular weight of 240.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocyclohex-2-en-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile is sourced from PubChem (CID 565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).