(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one

C7H13NO2 — CID 55286707

IUPAC(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one
SMILESCC(C)(O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H13NO2/c1-7(2,10)5-3-4-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyVIJNZUNFSBLFFL-YFKPBYRVSA-N
MW143.19 g/mol
LogP0.04
Rot. Bonds1

About (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one

(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one (PubChem CID 55286707) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one
PubChem CID55286707
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one
SMILESCC(C)(O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H13NO2/c1-7(2,10)5-3-4-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyVIJNZUNFSBLFFL-YFKPBYRVSA-N
XLogP0.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-methyl-2-[(2R)-5-oxopyrrolidin-2-yl]propanedioate
CID 125180975
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
tert-butyl 3-(2-hydroxypropan-2-yl)-5-oxopiperazine-1-carboxylate;ethane
CID 169255055
(5S)-5-[bis(4-ethylphenyl)-hydroxymethyl]pyrrolidin-2-one
CID 24765126
5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
CID 76615275
5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one
CID 11482936
(5S)-5-[bis(3,5-dipropylphenyl)-hydroxymethyl]pyrrolidin-2-one
CID 24815206
(5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one
CID 24765128
5-(3,3-dimethylbutyl)pyrrolidin-2-one
CID 163551837
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103933214
(2R)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103895358
(5S)-5-methylpyrrolidin-2-one
CID 7458701

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one (CID 55286707) is (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one is CC(C)(O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one?
The InChIKey is VIJNZUNFSBLFFL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,10)5-3-4-6(9)8-5/h5,10H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one?
(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 55286707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).