3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one

C10H15NO2 — CID 57194594

IUPAC3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one
SMILESCC(C)(CO)Cc1ccc[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-10(2,7-12)6-8-4-3-5-11-9(8)13/h3-5,12H,6-7H2,1-2H3,(H,11,13)
InChIKeyPFHRROLJBOLALG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds3

About 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one

3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one (PubChem CID 57194594) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one
PubChem CID57194594
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one
SMILESCC(C)(CO)Cc1ccc[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-10(2,7-12)6-8-4-3-5-11-9(8)13/h3-5,12H,6-7H2,1-2H3,(H,11,13)
InChIKeyPFHRROLJBOLALG-UHFFFAOYSA-N
XLogP0.94
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one
CID 156587360
5-Fluoro-3-(3-hydroxypropyl)pyridin-2-ol
CID 49761578
3-(3-hydroxypropyl)-1H-pyridin-2-one
CID 23434522
3-(2,3-dihydroxypropyl)-1H-pyridin-2-one
CID 67920598
3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one
CID 123307926
3-(oxetan-3-ylmethyl)-1H-pyridin-2-one
CID 140672169
3-(3-propoxypropyl)-1H-pyridin-2-one
CID 141361629
3-(3-ethoxypropyl)-1H-pyridin-2-one
CID 141361631
4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one
CID 150057452
N-[(2S)-1-hydroxy-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-4-methylpentanamide
CID 164134244
3-(4-methyloxan-4-yl)-1H-pyridin-2-one
CID 178740702
3-[1-(hydroxymethyl)cyclopropyl]-1H-pyridin-2-one
CID 178740733

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one (CID 57194594) is 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one is CC(C)(CO)Cc1ccc[nH]c1=O.
What is the InChIKey of 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one?
The InChIKey is PFHRROLJBOLALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,7-12)6-8-4-3-5-11-9(8)13/h3-5,12H,6-7H2,1-2H3,(H,11,13).
What are the key properties of 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one?
3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 57194594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).