(2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one

C9H17NO2 — CID 11206032

IUPAC(2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC[C@](C)(O)C(=O)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-3-9(2,12)8(11)10-6-4-5-7-10/h12H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYOCSCQATIQHBPS-VIFPVBQESA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds2

About (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one

(2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 11206032) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID11206032
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC[C@](C)(O)C(=O)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-3-9(2,12)8(11)10-6-4-5-7-10/h12H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYOCSCQATIQHBPS-VIFPVBQESA-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

Hoe 17879
CID 191492
2-Hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 15541572
[3-(Fluoromethyl)-4-methylpyrrolidin-1-yl]-(1-hydroxycyclopropyl)methanone
CID 68350250
[(3R,4S)-3-(fluoromethyl)-4-methylpyrrolidin-1-yl]-(1-hydroxycyclopropyl)methanone
CID 117883350
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
1-[(3R)-3-fluoro-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 167252802
(3R)-4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one
CID 170382339
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 175876161
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 11206032) is (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one is CC[C@](C)(O)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is YOCSCQATIQHBPS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-9(2,12)8(11)10-6-4-5-7-10/h12H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one?
(2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-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 (2S)-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 11206032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).