1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

C16H17NO5 — CID 15463390

IUPAC1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1O
InChIInChI=1S/C16H17NO5/c1-21-12-9-11(10-13(22-2)16(12)20)6-7-15(19)17-8-4-3-5-14(17)18/h3,5-7,9-10,20H,4,8H2,1-2H3/b7-6+
InChIKeyJJKQRSNEGCOSOC-VOTSOKGWSA-N
MW303.31 g/mol
LogP1.74
Rot. Bonds4

About 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 15463390) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID15463390
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1O
InChIInChI=1S/C16H17NO5/c1-21-12-9-11(10-13(22-2)16(12)20)6-7-15(19)17-8-4-3-5-14(17)18/h3,5-7,9-10,20H,4,8H2,1-2H3/b7-6+
InChIKeyJJKQRSNEGCOSOC-VOTSOKGWSA-N
XLogP1.74
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 15463390) is 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1O.
What is the InChIKey of 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is JJKQRSNEGCOSOC-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-12-9-11(10-13(22-2)16(12)20)6-7-15(19)17-8-4-3-5-14(17)18/h3,5-7,9-10,20H,4,8H2,1-2H3/b7-6+.
What are the key properties of 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 303.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 15463390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).