2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one

C12H17NO — CID 176935005

IUPAC2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
SMILESCC(C)C(=O)c1cccnc1C(C)C
InChIInChI=1S/C12H17NO/c1-8(2)11-10(6-5-7-13-11)12(14)9(3)4/h5-9H,1-4H3
InChIKeyPPMDMSIGBIJWOY-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.04
Rot. Bonds3

About 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one

2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one (PubChem CID 176935005) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
PubChem CID176935005
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
SMILESCC(C)C(=O)c1cccnc1C(C)C
InChIInChI=1S/C12H17NO/c1-8(2)11-10(6-5-7-13-11)12(14)9(3)4/h5-9H,1-4H3
InChIKeyPPMDMSIGBIJWOY-UHFFFAOYSA-N
XLogP3.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
CID 159616967
2-methyl-1-[2-(2-sulfanylethylamino)-3-pyridinyl]propan-1-one
CID 143284328
3-(fluoromethyl)-2-propan-2-ylpyridine
CID 147644116
1-propan-2-ylisoquinoline-5-carboxylic acid
CID 178019104
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
CID 140528330
1-(2-amino-3-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one (CID 176935005) is 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one is CC(C)C(=O)c1cccnc1C(C)C.
What is the InChIKey of 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one?
The InChIKey is PPMDMSIGBIJWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)11-10(6-5-7-13-11)12(14)9(3)4/h5-9H,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one?
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one has a molecular weight of 191.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 176935005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).