5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one

C13H17NO2 — CID 123673182

IUPAC5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1CC=C(OCC2=CCCC=C2)C(=O)N1
InChIInChI=1S/C13H17NO2/c1-10-7-8-12(13(15)14-10)16-9-11-5-3-2-4-6-11/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,14,15)
InChIKeyGXHFWGJCRQJCJX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.07
Rot. Bonds3

About 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one

5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 123673182) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID123673182
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1CC=C(OCC2=CCCC=C2)C(=O)N1
InChIInChI=1S/C13H17NO2/c1-10-7-8-12(13(15)14-10)16-9-11-5-3-2-4-6-11/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,14,15)
InChIKeyGXHFWGJCRQJCJX-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-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 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one (CID 123673182) is 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one is CC1CC=C(OCC2=CCCC=C2)C(=O)N1.
What is the InChIKey of 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is GXHFWGJCRQJCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-7-8-12(13(15)14-10)16-9-11-5-3-2-4-6-11/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,14,15).
What are the key properties of 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one?
5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 219.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-methyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 123673182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).