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

C14H12ClNO2 — CID 71534926

IUPAC1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-7-4-11(5-8-12)6-9-14(18)16-10-2-1-3-13(16)17/h1,3-9H,2,10H2/b9-6+
InChIKeyNHCDICODHJZILQ-RMKNXTFCSA-N
MW261.71 g/mol
LogP2.67
Rot. Bonds2

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

1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 71534926) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID71534926
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-7-4-11(5-8-12)6-9-14(18)16-10-2-1-3-13(16)17/h1,3-9H,2,10H2/b9-6+
InChIKeyNHCDICODHJZILQ-RMKNXTFCSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 692386
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CID 692385
1-[(4-chlorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392334
1-[(3-Chlorophenyl)methyl]pyridin-2-one
CID 39967032
Piperidine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-2-methyl-
CID 5736781
3-(4-Chloro-phenyl)-1-(4-methyl-piperazin-1-yl)-propenone
CID 809660
1-[3-(4-Chlorophenyl)acryloyl]-4-methylpiperazine
CID 2053897
3-(4-chlorophenyl)-N-(3-methoxypropyl)acrylamide
CID 2251334
(3E,5E)-3,5-bis[(4-chlorophenyl)methylene]-1-prop-2-enoyl-piperidin-4-one
CID 5351434
(3Z,5Z)-1-acryloyl-3,5-bis(4-chlorobenzylidene)-4-piperidone
CID 45280988
5-Chloro-1-(3-phenylprop-2-ynoyl)-2,3-dihydropyridin-6-one
CID 137660986
5-chloro-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 137661446

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 71534926) is 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is NHCDICODHJZILQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-12-7-4-11(5-8-12)6-9-14(18)16-10-2-1-3-13(16)17/h1,3-9H,2,10H2/b9-6+.
What are the key properties of 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 261.71 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 71534926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).