3-(2-oxocyclododecyl)propanenitrile

C15H25NO — CID 2775082

IUPAC3-(2-oxocyclododecyl)propanenitrile
SMILESN#CCCC1CCCCCCCCCCC1=O
InChIInChI=1S/C15H25NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14H,1-12H2
InChIKeyODLPPPHRABBMTF-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.39
Rot. Bonds2

About 3-(2-oxocyclododecyl)propanenitrile

3-(2-oxocyclododecyl)propanenitrile (PubChem CID 2775082) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(2-oxocyclododecyl)propanenitrile.

Molecular Properties

Compound Name3-(2-oxocyclododecyl)propanenitrile
PubChem CID2775082
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(2-oxocyclododecyl)propanenitrile
SMILESN#CCCC1CCCCCCCCCCC1=O
InChIInChI=1S/C15H25NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14H,1-12H2
InChIKeyODLPPPHRABBMTF-UHFFFAOYSA-N
XLogP4.39
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-oxocyclododecyl)propanenitrile 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 3-(2-oxocyclododecyl)propanenitrile?
The IUPAC name of 3-(2-oxocyclododecyl)propanenitrile (CID 2775082) is 3-(2-oxocyclododecyl)propanenitrile.
What is the SMILES notation for 3-(2-oxocyclododecyl)propanenitrile?
The canonical SMILES for 3-(2-oxocyclododecyl)propanenitrile is N#CCCC1CCCCCCCCCCC1=O.
What is the InChIKey of 3-(2-oxocyclododecyl)propanenitrile?
The InChIKey is ODLPPPHRABBMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14H,1-12H2.
What are the key properties of 3-(2-oxocyclododecyl)propanenitrile?
3-(2-oxocyclododecyl)propanenitrile has a molecular weight of 235.37 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxocyclododecyl)propanenitrile is sourced from PubChem (CID 2775082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).