1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C15H19NO — CID 71394500

IUPAC1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1CC(C)=C(C)CC1c1ccccc1
InChIInChI=1S/C15H19NO/c1-11-9-15(14-7-5-4-6-8-14)16(13(3)17)10-12(11)2/h4-8,15H,9-10H2,1-3H3
InChIKeyGNZOWJSRNUAKGV-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.32
Rot. Bonds1

About 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 71394500) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID71394500
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1CC(C)=C(C)CC1c1ccccc1
InChIInChI=1S/C15H19NO/c1-11-9-15(14-7-5-4-6-8-14)16(13(3)17)10-12(11)2/h4-8,15H,9-10H2,1-3H3
InChIKeyGNZOWJSRNUAKGV-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 71394500) is 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC(=O)N1CC(C)=C(C)CC1c1ccccc1.
What is the InChIKey of 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is GNZOWJSRNUAKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-9-15(14-7-5-4-6-8-14)16(13(3)17)10-12(11)2/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 71394500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).