6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one

C11H10ClNO — CID 86290450

IUPAC6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one
SMILESO=C1C=C(c2ccc(Cl)cc2)NCC1
InChIInChI=1S/C11H10ClNO/c12-9-3-1-8(2-4-9)11-7-10(14)5-6-13-11/h1-4,7,13H,5-6H2
InChIKeyVCPGJCDIFMPATH-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.24
Rot. Bonds1

About 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one

6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one (PubChem CID 86290450) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one
PubChem CID86290450
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one
SMILESO=C1C=C(c2ccc(Cl)cc2)NCC1
InChIInChI=1S/C11H10ClNO/c12-9-3-1-8(2-4-9)11-7-10(14)5-6-13-11/h1-4,7,13H,5-6H2
InChIKeyVCPGJCDIFMPATH-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one (CID 86290450) is 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one is O=C1C=C(c2ccc(Cl)cc2)NCC1.
What is the InChIKey of 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is VCPGJCDIFMPATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-9-3-1-8(2-4-9)11-7-10(14)5-6-13-11/h1-4,7,13H,5-6H2.
What are the key properties of 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one?
6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 207.66 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 86290450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).