1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one

C14H19NO2 — CID 138670145

IUPAC1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-13-8-4-5-11-15(13)14(17)10-9-12-6-2-1-3-7-12/h4,8-10,12H,1-3,5-7,11H2/b10-9+
InChIKeyNAXQDAGQRJMDPM-MDZDMXLPSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds2

About 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 138670145) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID138670145
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-13-8-4-5-11-15(13)14(17)10-9-12-6-2-1-3-7-12/h4,8-10,12H,1-3,5-7,11H2/b10-9+
InChIKeyNAXQDAGQRJMDPM-MDZDMXLPSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-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 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one (CID 138670145) is 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(=O)/C=C/C1CCCCC1.
What is the InChIKey of 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is NAXQDAGQRJMDPM-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-8-4-5-11-15(13)14(17)10-9-12-6-2-1-3-7-12/h4,8-10,12H,1-3,5-7,11H2/b10-9+.
What are the key properties of 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 233.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclohexylprop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 138670145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).