1-but-3-enyl-2,3-dihydropyridin-4-one

C9H13NO — CID 13275575

IUPAC1-but-3-enyl-2,3-dihydropyridin-4-one
SMILESC=CCCN1C=CC(=O)CC1
InChIInChI=1S/C9H13NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2,4,7H,1,3,5-6,8H2
InChIKeyNJLLCJGPQDGWAG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds3

About 1-but-3-enyl-2,3-dihydropyridin-4-one

1-but-3-enyl-2,3-dihydropyridin-4-one (PubChem CID 13275575) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-but-3-enyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-but-3-enyl-2,3-dihydropyridin-4-one
PubChem CID13275575
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-but-3-enyl-2,3-dihydropyridin-4-one
SMILESC=CCCN1C=CC(=O)CC1
InChIInChI=1S/C9H13NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2,4,7H,1,3,5-6,8H2
InChIKeyNJLLCJGPQDGWAG-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-but-3-enyl-2,3-dihydropyridin-4-one (CID 13275575) is 1-but-3-enyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-but-3-enyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-but-3-enyl-2,3-dihydropyridin-4-one is C=CCCN1C=CC(=O)CC1.
What is the InChIKey of 1-but-3-enyl-2,3-dihydropyridin-4-one?
The InChIKey is NJLLCJGPQDGWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2,4,7H,1,3,5-6,8H2.
What are the key properties of 1-but-3-enyl-2,3-dihydropyridin-4-one?
1-but-3-enyl-2,3-dihydropyridin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 13275575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).