3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione

C9H6N2O4 — CID 19831699

IUPAC3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione
SMILESO=C1C=C(CC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C9H6N2O4/c12-6-2-4(8(14)10-6)1-5-3-7(13)11-9(5)15/h2-3H,1H2,(H,10,12,14)(H,11,13,15)
InChIKeySAPGIBGZGRMCFZ-UHFFFAOYSA-N
MW206.16 g/mol
LogP-1.46
Rot. Bonds2

About 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione

3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione (PubChem CID 19831699) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione
PubChem CID19831699
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione
SMILESO=C1C=C(CC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C9H6N2O4/c12-6-2-4(8(14)10-6)1-5-3-7(13)11-9(5)15/h2-3H,1H2,(H,10,12,14)(H,11,13,15)
InChIKeySAPGIBGZGRMCFZ-UHFFFAOYSA-N
XLogP-1.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2,5-dioxopyrrol-3-yl)methyl]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

Butylmaleimide
CID 21880474
Propyl maleimide
CID 21880478
3,3'-(Ethane-1,2-diyl)bis(1H-pyrrole-2,5-dione)
CID 22721433
Hexamethylene-bis-maleimide
CID 22989081
Dimethylaminopropylmaleimide
CID 66615976
3-Ethylpyrrole-2,5-dione;pyrrole-2,5-dione
CID 18519653
3-[4-(2,5-Dioxopyrrol-3-yl)butyl]pyrrole-2,5-dione
CID 19427116
3-[3-(2,5-Dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione
CID 22364737
3-[7-(2,5-Dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione
CID 23042464
3-[(1-Carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide
CID 23618677
4-(2,5-Dioxopyrrol-3-yl)butanamide
CID 24826319
3-[5-(2,5-Dioxopyrrol-3-yl)pentyl]pyrrole-2,5-dione
CID 57350808

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione (CID 19831699) is 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione is O=C1C=C(CC2=CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione?
The InChIKey is SAPGIBGZGRMCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-6-2-4(8(14)10-6)1-5-3-7(13)11-9(5)15/h2-3H,1H2,(H,10,12,14)(H,11,13,15).
What are the key properties of 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione?
3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione has a molecular weight of 206.16 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 19831699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).