2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione

C8H11NO4 — CID 10932126

IUPAC2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
SMILESCC(=O)C(O)C(=O)N1CCCC1=O
InChIInChI=1S/C8H11NO4/c1-5(10)7(12)8(13)9-4-2-3-6(9)11/h7,12H,2-4H2,1H3
InChIKeyFXTPJROSGDPHGF-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.91
Rot. Bonds2

About 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione

2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione (PubChem CID 10932126) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
PubChem CID10932126
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
SMILESCC(=O)C(O)C(=O)N1CCCC1=O
InChIInChI=1S/C8H11NO4/c1-5(10)7(12)8(13)9-4-2-3-6(9)11/h7,12H,2-4H2,1H3
InChIKeyFXTPJROSGDPHGF-UHFFFAOYSA-N
XLogP-0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione 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

1-(2-methylpropanoyl)azepan-2-one
CID 86179400
(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
CID 90168526
1-acetylazonan-2-one
CID 19035113
3-methyl-2-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 68816336
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
1-acetylazepan-2-one;methane
CID 158348937
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
2-oxo-N-propan-2-ylpiperidine-1-carboxamide
CID 173438091
zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105
potassium 2-oxopyrrolidine-1-carboxylate
CID 23675141
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one
CID 10082350

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione?
The IUPAC name of 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione (CID 10932126) is 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione.
What is the SMILES notation for 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione?
The canonical SMILES for 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione is CC(=O)C(O)C(=O)N1CCCC1=O.
What is the InChIKey of 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione?
The InChIKey is FXTPJROSGDPHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5(10)7(12)8(13)9-4-2-3-6(9)11/h7,12H,2-4H2,1H3.
What are the key properties of 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione?
2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione has a molecular weight of 185.18 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione is sourced from PubChem (CID 10932126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).