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

C16H17NO4 — CID 118689464

IUPAC1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(/C=C/C(=O)N2CCC=CC2=O)c(OC)c1
InChIInChI=1S/C16H17NO4/c1-20-13-8-6-12(14(11-13)21-2)7-9-16(19)17-10-4-3-5-15(17)18/h3,5-9,11H,4,10H2,1-2H3/b9-7+
InChIKeyGSRRBIGSJCQADM-VQHVLOKHSA-N
MW287.32 g/mol
LogP2.03
Rot. Bonds4

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

1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 118689464) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID118689464
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(/C=C/C(=O)N2CCC=CC2=O)c(OC)c1
InChIInChI=1S/C16H17NO4/c1-20-13-8-6-12(14(11-13)21-2)7-9-16(19)17-10-4-3-5-15(17)18/h3,5-9,11H,4,10H2,1-2H3/b9-7+
InChIKeyGSRRBIGSJCQADM-VQHVLOKHSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 643764
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CID 808227
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CID 689050
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CID 613753
CID 613753
CID 15463390
CID 15463390
CID 2542254
CID 2542254
CID 14971255
CID 14971255
CID 60194076
CID 60194076
CID 71495988
CID 71495988
CID 135924311
CID 135924311
CID 442653
CID 442653

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 118689464) is 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is COc1ccc(/C=C/C(=O)N2CCC=CC2=O)c(OC)c1.
What is the InChIKey of 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is GSRRBIGSJCQADM-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-13-8-6-12(14(11-13)21-2)7-9-16(19)17-10-4-3-5-15(17)18/h3,5-9,11H,4,10H2,1-2H3/b9-7+.
What are the key properties of 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 287.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 118689464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).