ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one

C17H21NO — CID 91491715

IUPACethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
SMILESCC.CC(C)(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15NO.C2H6/c1-15(2,13-10-6-7-11-16-13)14(17)12-8-4-3-5-9-12;1-2/h3-11H,1-2H3;1-2H3
InChIKeyHDGKUBUTKQLCNV-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.27
Rot. Bonds3

About ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one

ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one (PubChem CID 91491715) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
PubChem CID91491715
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Nameethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
SMILESCC.CC(C)(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15NO.C2H6/c1-15(2,13-10-6-7-11-16-13)14(17)12-8-4-3-5-9-12;1-2/h3-11H,1-2H3;1-2H3
InChIKeyHDGKUBUTKQLCNV-UHFFFAOYSA-N
XLogP4.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-one
CID 170899869
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide
CID 68909765
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
2-tert-butylpyridine;ethane;methane
CID 143332153
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one
CID 13163752
4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411
bis(dipyridin-2-ylmethanediol);nickel(2+);dibenzoate
CID 139079602

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one?
The IUPAC name of ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one (CID 91491715) is ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one is CC.CC(C)(C(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one?
The InChIKey is HDGKUBUTKQLCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.C2H6/c1-15(2,13-10-6-7-11-16-13)14(17)12-8-4-3-5-9-12;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one?
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one has a molecular weight of 255.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 91491715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).