3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one

C10H13NO2 — CID 175849018

IUPAC3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
SMILESCC(C)(O)CC(=O)c1ccccn1
InChIInChI=1S/C10H13NO2/c1-10(2,13)7-9(12)8-5-3-4-6-11-8/h3-6,13H,7H2,1-2H3
InChIKeyVXBPZJWALDJWAT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.43
Rot. Bonds3

About 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one

3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one (PubChem CID 175849018) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
PubChem CID175849018
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
SMILESCC(C)(O)CC(=O)c1ccccn1
InChIInChI=1S/C10H13NO2/c1-10(2,13)7-9(12)8-5-3-4-6-11-8/h3-6,13H,7H2,1-2H3
InChIKeyVXBPZJWALDJWAT-UHFFFAOYSA-N
XLogP1.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
3,5,5-trimethyl-1-pyridin-2-ylhexan-1-one
CID 24723559
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
1-pyridin-2-ylhexan-1-one
CID 556347
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
3-propylimino-1-pyridin-2-ylpropan-1-one
CID 90739015
propan-2-one;1-pyridin-2-ylethanone
CID 158043833

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one?
The IUPAC name of 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one (CID 175849018) is 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one?
The canonical SMILES for 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one is CC(C)(O)CC(=O)c1ccccn1.
What is the InChIKey of 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one?
The InChIKey is VXBPZJWALDJWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,13)7-9(12)8-5-3-4-6-11-8/h3-6,13H,7H2,1-2H3.
What are the key properties of 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one?
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one has a molecular weight of 179.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 175849018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).