2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone

C11H13NO2 — CID 103455679

IUPAC2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)C(O)C2CC2)cn1
InChIInChI=1S/C11H13NO2/c1-7-2-3-9(6-12-7)11(14)10(13)8-4-5-8/h2-3,6,8,10,13H,4-5H2,1H3
InChIKeyPBQUMDZBQNYYMG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.34
Rot. Bonds3

About 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone

2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 103455679) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID103455679
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)C(O)C2CC2)cn1
InChIInChI=1S/C11H13NO2/c1-7-2-3-9(6-12-7)11(14)10(13)8-4-5-8/h2-3,6,8,10,13H,4-5H2,1H3
InChIKeyPBQUMDZBQNYYMG-UHFFFAOYSA-N
XLogP1.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-methoxy-1-(6-methyl-3-pyridinyl)ethanone
CID 116709132
2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 103455104
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone
CID 103455848
cyclohexyl-(6-methyl-3-pyridinyl)methanone
CID 63155759
6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone
CID 114971615
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one
CID 116575014
N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 95280380
2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 119202765
(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone
CID 107186922

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone (CID 103455679) is 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(C(=O)C(O)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is PBQUMDZBQNYYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-2-3-9(6-12-7)11(14)10(13)8-4-5-8/h2-3,6,8,10,13H,4-5H2,1H3.
What are the key properties of 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone?
2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 103455679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).