6-benzoyl-3,4-dihydro-1H-pyridin-2-one

C12H11NO2 — CID 139944909

IUPAC6-benzoyl-3,4-dihydro-1H-pyridin-2-one
SMILESO=C1CCC=C(C(=O)c2ccccc2)N1
InChIInChI=1S/C12H11NO2/c14-11-8-4-7-10(13-11)12(15)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2,(H,13,14)
InChIKeyVPHFJUXBBLOYFV-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.66
Rot. Bonds2

About 6-benzoyl-3,4-dihydro-1H-pyridin-2-one

6-benzoyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 139944909) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-benzoyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-benzoyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID139944909
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name6-benzoyl-3,4-dihydro-1H-pyridin-2-one
SMILESO=C1CCC=C(C(=O)c2ccccc2)N1
InChIInChI=1S/C12H11NO2/c14-11-8-4-7-10(13-11)12(15)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2,(H,13,14)
InChIKeyVPHFJUXBBLOYFV-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 6-benzoyl-3,4-dihydro-1H-pyridin-2-one (CID 139944909) is 6-benzoyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 6-benzoyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 6-benzoyl-3,4-dihydro-1H-pyridin-2-one is O=C1CCC=C(C(=O)c2ccccc2)N1.
What is the InChIKey of 6-benzoyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is VPHFJUXBBLOYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-8-4-7-10(13-11)12(15)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2,(H,13,14).
What are the key properties of 6-benzoyl-3,4-dihydro-1H-pyridin-2-one?
6-benzoyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 139944909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).