2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one

C15H15NO — CID 104845055

IUPAC2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
SMILESCC(Cc1cccnc1)C(=O)c1ccccc1
InChIInChI=1S/C15H15NO/c1-12(10-13-6-5-9-16-11-13)15(17)14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3
InChIKeyCJRTYNVJUOHWAN-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one

2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one (PubChem CID 104845055) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
PubChem CID104845055
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
SMILESCC(Cc1cccnc1)C(=O)c1ccccc1
InChIInChI=1S/C15H15NO/c1-12(10-13-6-5-9-16-11-13)15(17)14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3
InChIKeyCJRTYNVJUOHWAN-UHFFFAOYSA-N
XLogP3.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone
CID 57033647
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149
(2S)-2-(methoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 59166442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one (CID 104845055) is 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one is CC(Cc1cccnc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one?
The InChIKey is CJRTYNVJUOHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12(10-13-6-5-9-16-11-13)15(17)14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one?
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 104845055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).