1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione

C7H7NO4 — CID 11412609

IUPAC1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione
SMILESO=C(CO)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO4/c9-4-5(10)3-8-6(11)1-2-7(8)12/h1-2,9H,3-4H2
InChIKeyUIPOZCMARHIOFE-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.53
Rot. Bonds3

About 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione

1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione (PubChem CID 11412609) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione
PubChem CID11412609
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione
SMILESO=C(CO)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO4/c9-4-5(10)3-8-6(11)1-2-7(8)12/h1-2,9H,3-4H2
InChIKeyUIPOZCMARHIOFE-UHFFFAOYSA-N
XLogP-1.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-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-(3-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22177285
1-(1-Hydroxy-2-oxopropyl)-1H-pyrrole-2,5-dione
CID 286651
3-(2,5-Dioxopyrrol-1-yl)-2-oxopropanoic acid
CID 60139580
1-(1,3-Dihydroxypropyl)pyrrole-2,5-dione
CID 174963596

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione (CID 11412609) is 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione is O=C(CO)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione?
The InChIKey is UIPOZCMARHIOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-4-5(10)3-8-6(11)1-2-7(8)12/h1-2,9H,3-4H2.
What are the key properties of 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione?
1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione has a molecular weight of 169.14 g/mol, XLogP of -1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-oxopropyl)pyrrole-2,5-dione is sourced from PubChem (CID 11412609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).