4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one

C14H10ClNO2 — CID 154775843

IUPAC4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one
SMILESO=C(C=Cc1ccc(Cl)cc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H10ClNO2/c15-12-4-1-10(2-5-12)3-6-13(17)11-7-8-16-14(18)9-11/h1-9H,(H,16,18)
InChIKeyKVVSIIUFPAAHHO-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.92
Rot. Bonds3

About 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one

4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one (PubChem CID 154775843) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one
PubChem CID154775843
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one
SMILESO=C(C=Cc1ccc(Cl)cc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H10ClNO2/c15-12-4-1-10(2-5-12)3-6-13(17)11-7-8-16-14(18)9-11/h1-9H,(H,16,18)
InChIKeyKVVSIIUFPAAHHO-UHFFFAOYSA-N
XLogP2.92
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one
CID 138043661
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(E)-1-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 14977361
4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 7918870
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one
CID 2795097
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]benzonitrile
CID 52643863
4-chloro-N-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]benzamide
CID 177378529
(E)-3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one
CID 8831867
1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 2781337
1-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 625655
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one (CID 154775843) is 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one is O=C(C=Cc1ccc(Cl)cc1)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one?
The InChIKey is KVVSIIUFPAAHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-12-4-1-10(2-5-12)3-6-13(17)11-7-8-16-14(18)9-11/h1-9H,(H,16,18).
What are the key properties of 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one?
4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one has a molecular weight of 259.69 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one is sourced from PubChem (CID 154775843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).