(2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one

C8H13NO2 — CID 57434337

IUPAC(2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC(C)(C)[C@@H]1NC(=O)C=C1O
InChIInChI=1S/C8H13NO2/c1-8(2,3)7-5(10)4-6(11)9-7/h4,7,10H,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyGERQFAWDZLJNDI-SSDOTTSWSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds

About (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one

(2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 57434337) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID57434337
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC(C)(C)[C@@H]1NC(=O)C=C1O
InChIInChI=1S/C8H13NO2/c1-8(2,3)7-5(10)4-6(11)9-7/h4,7,10H,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyGERQFAWDZLJNDI-SSDOTTSWSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-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

(S)-5-Isopropyl-4-methoxy-1H-pyrrol-2(5H)-one
CID 45095977
4-Hydroxy-5-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 56604138
(S)-4-Hydroxy-5-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 56604087
4-Hydroxy-5-isopropyl-1,5-dihydro-pyrrol-2-one
CID 56604111
4-hydroxy-2,3-dimethyl-2,3-dihydro-1H-pyridin-6-one
CID 59936977
4-Hydroxy-5-isopropyl-1-methyl-1,5-dihydro-pyrrol-2-one
CID 69067127
3-Hydroxy-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 85685066
2-Butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 91618641
N-[2-[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]ethyl]-3,3-dimethylbutanamide
CID 135196437
N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide
CID 138462263
(2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 138579820
2-tert-butyl-3-hydroxy-1-(3-methylbutyl)-2H-pyrrol-5-one
CID 141181862

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one (CID 57434337) is (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one is CC(C)(C)[C@@H]1NC(=O)C=C1O.
What is the InChIKey of (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is GERQFAWDZLJNDI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)7-5(10)4-6(11)9-7/h4,7,10H,1-3H3,(H,9,11)/t7-/m1/s1.
What are the key properties of (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one?
(2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 57434337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).