3-pyrrol-1-ylpyrrolidine-2,5-dione

C8H8N2O2 — CID 134848070

IUPAC3-pyrrol-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(n2cccc2)C(=O)N1
InChIInChI=1S/C8H8N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h1-4,6H,5H2,(H,9,11,12)
InChIKeyPMTVXWQPOHQSEL-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.08
Rot. Bonds1

About 3-pyrrol-1-ylpyrrolidine-2,5-dione

3-pyrrol-1-ylpyrrolidine-2,5-dione (PubChem CID 134848070) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-pyrrol-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-pyrrol-1-ylpyrrolidine-2,5-dione
PubChem CID134848070
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-pyrrol-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(n2cccc2)C(=O)N1
InChIInChI=1S/C8H8N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h1-4,6H,5H2,(H,9,11,12)
InChIKeyPMTVXWQPOHQSEL-UHFFFAOYSA-N
XLogP0.08
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
(2S)-2-[4-(2-bromopyrrol-1-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 9836475
1-isopropyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70713159
1-ethyl-5-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-pyrrolidinecarboxamide
CID 71980030
N-cyclopropyl-3-pyrrol-1-ylpropanamide
CID 45106935
1H-Pyrrole-1-acetamide
CID 19973177
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980029
(2S)-2-pyrrol-1-ylpropanamide
CID 172994083
1-(1-Methylpyrrol-3-yl)pyrrolidine-2,5-dione
CID 24764154
2-Diethylamino-3-(pyrrol-1-yl)maleimide
CID 129871999
2,3-Bis(pyrrol-1-yl)maleimide
CID 129872119
2-(2,5-Dihydropyrrol-1-yl)-3-(pyrrol-1-yl)maleimide
CID 129872132

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-pyrrol-1-ylpyrrolidine-2,5-dione (CID 134848070) is 3-pyrrol-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-pyrrol-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-pyrrol-1-ylpyrrolidine-2,5-dione is O=C1CC(n2cccc2)C(=O)N1.
What is the InChIKey of 3-pyrrol-1-ylpyrrolidine-2,5-dione?
The InChIKey is PMTVXWQPOHQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h1-4,6H,5H2,(H,9,11,12).
What are the key properties of 3-pyrrol-1-ylpyrrolidine-2,5-dione?
3-pyrrol-1-ylpyrrolidine-2,5-dione has a molecular weight of 164.16 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 134848070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).