4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one

C19H25NO — CID 67947477

IUPAC4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCN2C=CC(C3=CCC=CC3)=CC2)CC1
InChIInChI=1S/C19H25NO/c21-19-8-6-16(7-9-19)10-13-20-14-11-18(12-15-20)17-4-2-1-3-5-17/h1-2,5,11-12,14,16H,3-4,6-10,13,15H2
InChIKeySXRQWTGCETYMTM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.17
Rot. Bonds4

About 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one

4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one (PubChem CID 67947477) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
PubChem CID67947477
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCN2C=CC(C3=CCC=CC3)=CC2)CC1
InChIInChI=1S/C19H25NO/c21-19-8-6-16(7-9-19)10-13-20-14-11-18(12-15-20)17-4-2-1-3-5-17/h1-2,5,11-12,14,16H,3-4,6-10,13,15H2
InChIKeySXRQWTGCETYMTM-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one 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 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one (CID 67947477) is 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one is O=C1CCC(CCN2C=CC(C3=CCC=CC3)=CC2)CC1.
What is the InChIKey of 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one?
The InChIKey is SXRQWTGCETYMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-19-8-6-16(7-9-19)10-13-20-14-11-18(12-15-20)17-4-2-1-3-5-17/h1-2,5,11-12,14,16H,3-4,6-10,13,15H2.
What are the key properties of 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one?
4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one has a molecular weight of 283.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-one is sourced from PubChem (CID 67947477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).