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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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).