N-cyclohexa-1,5-dien-1-yl-8-oxononanamide

C15H23NO2 — CID 123178167

IUPACN-cyclohexa-1,5-dien-1-yl-8-oxononanamide
SMILESCC(=O)CCCCCCC(=O)NC1=CCCC=C1
InChIInChI=1S/C15H23NO2/c1-13(17)9-5-2-3-8-12-15(18)16-14-10-6-4-7-11-14/h6,10-11H,2-5,7-9,12H2,1H3,(H,16,18)
InChIKeyYRVLZXJASUQAIU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.27
Rot. Bonds8

About N-cyclohexa-1,5-dien-1-yl-8-oxononanamide

N-cyclohexa-1,5-dien-1-yl-8-oxononanamide (PubChem CID 123178167) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-8-oxononanamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-8-oxononanamide
PubChem CID123178167
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-cyclohexa-1,5-dien-1-yl-8-oxononanamide
SMILESCC(=O)CCCCCCC(=O)NC1=CCCC=C1
InChIInChI=1S/C15H23NO2/c1-13(17)9-5-2-3-8-12-15(18)16-14-10-6-4-7-11-14/h6,10-11H,2-5,7-9,12H2,1H3,(H,16,18)
InChIKeyYRVLZXJASUQAIU-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclohexa-1,5-dien-1-yl-8-oxononanamide 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 N-cyclohexa-1,5-dien-1-yl-8-oxononanamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-8-oxononanamide (CID 123178167) is N-cyclohexa-1,5-dien-1-yl-8-oxononanamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-8-oxononanamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-8-oxononanamide is CC(=O)CCCCCCC(=O)NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-8-oxononanamide?
The InChIKey is YRVLZXJASUQAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(17)9-5-2-3-8-12-15(18)16-14-10-6-4-7-11-14/h6,10-11H,2-5,7-9,12H2,1H3,(H,16,18).
What are the key properties of N-cyclohexa-1,5-dien-1-yl-8-oxononanamide?
N-cyclohexa-1,5-dien-1-yl-8-oxononanamide has a molecular weight of 249.35 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-8-oxononanamide is sourced from PubChem (CID 123178167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).