1-pent-4-enoyl-2,3-dihydropyridin-4-one

C10H13NO2 — CID 122375672

IUPAC1-pent-4-enoyl-2,3-dihydropyridin-4-one
SMILESC=CCCC(=O)N1C=CC(=O)CC1
InChIInChI=1S/C10H13NO2/c1-2-3-4-10(13)11-7-5-9(12)6-8-11/h2,5,7H,1,3-4,6,8H2
InChIKeyPYXPFXCPKXTECS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.27
Rot. Bonds3

About 1-pent-4-enoyl-2,3-dihydropyridin-4-one

1-pent-4-enoyl-2,3-dihydropyridin-4-one (PubChem CID 122375672) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-pent-4-enoyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-pent-4-enoyl-2,3-dihydropyridin-4-one
PubChem CID122375672
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-pent-4-enoyl-2,3-dihydropyridin-4-one
SMILESC=CCCC(=O)N1C=CC(=O)CC1
InChIInChI=1S/C10H13NO2/c1-2-3-4-10(13)11-7-5-9(12)6-8-11/h2,5,7H,1,3-4,6,8H2
InChIKeyPYXPFXCPKXTECS-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.27
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-pent-4-enoyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-pent-4-enoyl-2,3-dihydropyridin-4-one (CID 122375672) is 1-pent-4-enoyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-pent-4-enoyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-pent-4-enoyl-2,3-dihydropyridin-4-one is C=CCCC(=O)N1C=CC(=O)CC1.
What is the InChIKey of 1-pent-4-enoyl-2,3-dihydropyridin-4-one?
The InChIKey is PYXPFXCPKXTECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-3-4-10(13)11-7-5-9(12)6-8-11/h2,5,7H,1,3-4,6,8H2.
What are the key properties of 1-pent-4-enoyl-2,3-dihydropyridin-4-one?
1-pent-4-enoyl-2,3-dihydropyridin-4-one has a molecular weight of 179.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 122375672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).