5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one

C15H11Cl2NO2 — CID 66668983

IUPAC5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)C=Cc2cc(Cl)ccc2Cl)ccc1=O
InChIInChI=1S/C15H11Cl2NO2/c1-18-9-11(3-7-15(18)20)14(19)6-2-10-8-12(16)4-5-13(10)17/h2-9H,1H3
InChIKeyCOZZCNRIUWBAJY-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.59
Rot. Bonds3

About 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one

5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one (PubChem CID 66668983) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one
PubChem CID66668983
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)C=Cc2cc(Cl)ccc2Cl)ccc1=O
InChIInChI=1S/C15H11Cl2NO2/c1-18-9-11(3-7-15(18)20)14(19)6-2-10-8-12(16)4-5-13(10)17/h2-9H,1H3
InChIKeyCOZZCNRIUWBAJY-UHFFFAOYSA-N
XLogP3.59
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.59
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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Related Compounds

(E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 178162630
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
CID 7014934
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-3-(5-chloro-2-hydroxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 44632190
1-(4-tert-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 4531799
1,4-dichloro-2-prop-1-enylbenzene
CID 70502505
(E)-3-(2,5-dichlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 104981592
(E)-1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 47241616
(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 7945580
1-(4-methylphenyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one
CID 91586373
N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
CID 118039643
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one (CID 66668983) is 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one is Cn1cc(C(=O)C=Cc2cc(Cl)ccc2Cl)ccc1=O.
What is the InChIKey of 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one?
The InChIKey is COZZCNRIUWBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-18-9-11(3-7-15(18)20)14(19)6-2-10-8-12(16)4-5-13(10)17/h2-9H,1H3.
What are the key properties of 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one?
5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one has a molecular weight of 308.16 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one is sourced from PubChem (CID 66668983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).