(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one

C8H15NO2 — CID 125426069

IUPAC(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@]1(CO)CCNC1=O
InChIInChI=1S/C8H15NO2/c1-6(2)8(5-10)3-4-9-7(8)11/h6,10H,3-5H2,1-2H3,(H,9,11)/t8-/m1/s1
InChIKeySAYLLVDCDQTUDR-MRVPVSSYSA-N
MW157.21 g/mol
LogP0.14
Rot. Bonds2

About (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one

(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one (PubChem CID 125426069) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one
PubChem CID125426069
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@]1(CO)CCNC1=O
InChIInChI=1S/C8H15NO2/c1-6(2)8(5-10)3-4-9-7(8)11/h6,10H,3-5H2,1-2H3,(H,9,11)/t8-/m1/s1
InChIKeySAYLLVDCDQTUDR-MRVPVSSYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxyethyl)-3-methylpyrrolidin-2-one
CID 12682994
3-ethyl-3-hydroxypyrrolidin-2-one
CID 123912122
(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one
CID 125426256
8-(hydroxymethyl)-2-azaspiro[4.5]decan-1-one
CID 176544872
3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one
CID 166728294
ethane;3-fluoro-3-methylpyrrolidin-2-one
CID 164536225
4-methyl-4-propan-2-yl-1,3-diazinan-2-one
CID 105430538
(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one
CID 166078625
N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide
CID 134241467
(1S,6S)-6-propan-2-yl-3-azabicyclo[4.1.0]heptan-2-one
CID 102114501
3-methyl-3-(methylaminomethyl)pyrrolidin-2-one
CID 169259581
4-methyl-3,3-di(propan-2-yl)piperazin-2-one
CID 171408807

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one (CID 125426069) is (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one is CC(C)[C@]1(CO)CCNC1=O.
What is the InChIKey of (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is SAYLLVDCDQTUDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)8(5-10)3-4-9-7(8)11/h6,10H,3-5H2,1-2H3,(H,9,11)/t8-/m1/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one?
(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 125426069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).