1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one

C9H17NO2 — CID 123622183

IUPAC1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one
SMILESCCC(C)N1CCC(C)(O)C1=O
InChIInChI=1S/C9H17NO2/c1-4-7(2)10-6-5-9(3,12)8(10)11/h7,12H,4-6H2,1-3H3
InChIKeyRIVFQYHYHZEDDS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds2

About 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one

1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one (PubChem CID 123622183) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one
PubChem CID123622183
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one
SMILESCCC(C)N1CCC(C)(O)C1=O
InChIInChI=1S/C9H17NO2/c1-4-7(2)10-6-5-9(3,12)8(10)11/h7,12H,4-6H2,1-3H3
InChIKeyRIVFQYHYHZEDDS-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 15541572
3-(3,3-Dimethylbut-1-ynyl)-4-fluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117916101
4-Fluoro-3-hydroxy-1-methyl-3-prop-1-ynylpyrrolidin-2-one
CID 117919177
3-But-1-ynyl-4-fluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117937940
(3R)-4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one
CID 170382339
N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 176787150
4,4-Difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one
CID 177263046
1-(3-Fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 126991362
(2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 11206032
3-Hydroxy-3-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 18960508
1-[4-(Dimethylamino)but-2-ynyl]-3-hydroxy-3-methylpyrrolidin-2-one
CID 19043608
3-Ethynyl-3-hydroxy-1-methylpyrrolidin-2-one
CID 58221634

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one?
The IUPAC name of 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one (CID 123622183) is 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one is CCC(C)N1CCC(C)(O)C1=O.
What is the InChIKey of 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one?
The InChIKey is RIVFQYHYHZEDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7(2)10-6-5-9(3,12)8(10)11/h7,12H,4-6H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one?
1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one is sourced from PubChem (CID 123622183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).