1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

C15H15NO3 — CID 51136587

IUPAC1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1
InChIInChI=1S/C15H15NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h2,4-10H,3,11H2,1H3/b10-7+
InChIKeyXSZMHSIBGMOVHF-JXMROGBWSA-N
MW257.29 g/mol
LogP2.02
Rot. Bonds3

About 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 51136587) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID51136587
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1
InChIInChI=1S/C15H15NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h2,4-10H,3,11H2,1H3/b10-7+
InChIKeyXSZMHSIBGMOVHF-JXMROGBWSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 51136587) is 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is COc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1.
What is the InChIKey of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is XSZMHSIBGMOVHF-JXMROGBWSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h2,4-10H,3,11H2,1H3/b10-7+.
What are the key properties of 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 257.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 51136587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).