(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one

C11H15NO2 — CID 166005900

IUPAC(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one
SMILESCC(C)(C)C(=O)[C@H](O)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-11(2,3)10(14)9(13)8-6-4-5-7-12-8/h4-7,9,13H,1-3H3/t9-/m1/s1
InChIKeyJVPTUOAZWKDWJK-SECBINFHSA-N
MW193.25 g/mol
LogP1.73
Rot. Bonds2

About (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one

(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one (PubChem CID 166005900) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one
PubChem CID166005900
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one
SMILESCC(C)(C)C(=O)[C@H](O)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-11(2,3)10(14)9(13)8-6-4-5-7-12-8/h4-7,9,13H,1-3H3/t9-/m1/s1
InChIKeyJVPTUOAZWKDWJK-SECBINFHSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
2-hydroxy-N,N-diphenyl-2-pyridin-2-ylacetamide
CID 23727576
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
N-tert-butyl-2-phenyl-2-pyridin-2-ylacetamide
CID 110373379
(3S,4R)-4-hydroxy-3-methyl-4-pyridin-2-ylbutan-2-one
CID 130697576
2-methyl-1-pyridin-2-ylbuta-2,3-dien-1-ol
CID 11084179
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 15812390
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
CID 82113909
(Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one
CID 101386160

Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one?
The IUPAC name of (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one (CID 166005900) is (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one.
What is the SMILES notation for (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one?
The canonical SMILES for (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one is CC(C)(C)C(=O)[C@H](O)c1ccccn1.
What is the InChIKey of (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one?
The InChIKey is JVPTUOAZWKDWJK-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)10(14)9(13)8-6-4-5-7-12-8/h4-7,9,13H,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one?
(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 166005900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).