4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one

C10H15NO2 — CID 150057452

IUPAC4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one
SMILESCC(C)(CO)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C10H15NO2/c1-10(2,7-12)6-8-3-4-11-9(13)5-8/h3-5,12H,6-7H2,1-2H3,(H,11,13)
InChIKeyDMPDZVJSNHZKEA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds3

About 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one

4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one (PubChem CID 150057452) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one
PubChem CID150057452
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one
SMILESCC(C)(CO)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C10H15NO2/c1-10(2,7-12)6-8-3-4-11-9(13)5-8/h3-5,12H,6-7H2,1-2H3,(H,11,13)
InChIKeyDMPDZVJSNHZKEA-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-fluoro-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299059
5-fluoro-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299820
3-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one
CID 57194594
4-(2,2-dimethylpropyl)-1H-pyridin-2-one
CID 57894440
4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 119082202
4-methyl-5-(2-methylbut-3-en-2-yl)-1H-pyridin-2-one
CID 123602410
4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one
CID 130252489
4-(2-hydroxyethyl)-1H-pyridin-2-one
CID 139832292
4-[5-hydroxy-1-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]-1H-pyridin-2-one
CID 140130672
5-(3-hydroxypropyl)-4-methyl-1H-pyridin-2-one
CID 152016134
4-(2,2-dimethylbut-3-enyl)-1H-pyridin-2-one
CID 154653439
N-[(1E,3E,5R,6R)-6-hydroxy-3,5,8-trimethylnona-1,3,8-trienyl]-3-methylbut-2-enamide
CID 155236141

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one (CID 150057452) is 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one is CC(C)(CO)Cc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one?
The InChIKey is DMPDZVJSNHZKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,7-12)6-8-3-4-11-9(13)5-8/h3-5,12H,6-7H2,1-2H3,(H,11,13).
What are the key properties of 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one?
4-(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 4-(3-hydroxy-2,2-dimethylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 150057452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).