1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione

C8H8N2O2 — CID 14489760

IUPAC1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc[nH]1
InChIInChI=1S/C8H8N2O2/c11-7-3-4-8(12)10(7)6-2-1-5-9-6/h1-2,5,9H,3-4H2
InChIKeyKBEXIYNKYDEEND-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.67
Rot. Bonds1

About 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione

1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione (PubChem CID 14489760) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione
PubChem CID14489760
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc[nH]1
InChIInChI=1S/C8H8N2O2/c11-7-3-4-8(12)10(7)6-2-1-5-9-6/h1-2,5,9H,3-4H2
InChIKeyKBEXIYNKYDEEND-UHFFFAOYSA-N
XLogP0.67
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione (CID 14489760) is 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is KBEXIYNKYDEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-7-3-4-8(12)10(7)6-2-1-5-9-6/h1-2,5,9H,3-4H2.
What are the key properties of 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione?
1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 164.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 14489760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).