4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one

C13H13Cl2NO — CID 142826183

IUPAC4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one
SMILESCC(c1ccccc1)N1CCC(Cl)=C(Cl)C1=O
InChIInChI=1S/C13H13Cl2NO/c1-9(10-5-3-2-4-6-10)16-8-7-11(14)12(15)13(16)17/h2-6,9H,7-8H2,1H3
InChIKeyRPVDXMXPVLVSIL-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.67
Rot. Bonds2

About 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one

4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one (PubChem CID 142826183) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one
PubChem CID142826183
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one
SMILESCC(c1ccccc1)N1CCC(Cl)=C(Cl)C1=O
InChIInChI=1S/C13H13Cl2NO/c1-9(10-5-3-2-4-6-10)16-8-7-11(14)12(15)13(16)17/h2-6,9H,7-8H2,1H3
InChIKeyRPVDXMXPVLVSIL-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione
CID 101467983
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CID 142649009
5-methyl-1-(1-phenylethyl)-2,3-dihydropyrrole-4-carboxylic acid
CID 118980957
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-azepin-7-one
CID 135044353
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
CID 142135206
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
(3aS,6aS)-2-[(1R)-1-phenylethyl]-1,3a,4,6a-tetrahydrocyclopenta[c]pyrrol-3-one
CID 141213114
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651
(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
CID 14813890
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one (CID 142826183) is 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one is CC(c1ccccc1)N1CCC(Cl)=C(Cl)C1=O.
What is the InChIKey of 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one?
The InChIKey is RPVDXMXPVLVSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-9(10-5-3-2-4-6-10)16-8-7-11(14)12(15)13(16)17/h2-6,9H,7-8H2,1H3.
What are the key properties of 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one?
4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one has a molecular weight of 270.16 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 142826183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).