1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one

C12H19NO — CID 57297378

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one
SMILESCCC=CCC(=O)C1=CCCN(C)C1
InChIInChI=1S/C12H19NO/c1-3-4-5-8-12(14)11-7-6-9-13(2)10-11/h4-5,7H,3,6,8-10H2,1-2H3
InChIKeyFORMBSYTLDOXRE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.17
Rot. Bonds4

About 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one (PubChem CID 57297378) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one
PubChem CID57297378
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one
SMILESCCC=CCC(=O)C1=CCCN(C)C1
InChIInChI=1S/C12H19NO/c1-3-4-5-8-12(14)11-7-6-9-13(2)10-11/h4-5,7H,3,6,8-10H2,1-2H3
InChIKeyFORMBSYTLDOXRE-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-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

Related Compounds

Isoarecolone methiodide
CID 146968
Isoarecolone
CID 146970
1-(1,2,5,6-Tetrahydro-1-methyl-3-pyridinyl)-1-propanone
CID 10176226
1-(1-Methyl-1,2,5,6-tetrahydro-3-pyridinyl)ethanone
CID 10975568
1-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)butan-1-one
CID 15048512
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-2-yn-1-one
CID 15048515
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one
CID 15598809
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one
CID 21757403
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-1-one
CID 21757406
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-one
CID 21757449
1-(1-Ethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-ethanone
CID 44335203
1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide
CID 3024589

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one (CID 57297378) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one is CCC=CCC(=O)C1=CCCN(C)C1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one?
The InChIKey is FORMBSYTLDOXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-5-8-12(14)11-7-6-9-13(2)10-11/h4-5,7H,3,6,8-10H2,1-2H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one is sourced from PubChem (CID 57297378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).