1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione

C9H10N2O2 — CID 24764154

IUPAC1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione
SMILESCn1ccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C9H10N2O2/c1-10-5-4-7(6-10)11-8(12)2-3-9(11)13/h4-6H,2-3H2,1H3
InChIKeyDDXWREQOADLERQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.68
Rot. Bonds1

About 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione

1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione (PubChem CID 24764154) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione
PubChem CID24764154
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione
SMILESCn1ccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C9H10N2O2/c1-10-5-4-7(6-10)11-8(12)2-3-9(11)13/h4-6H,2-3H2,1H3
InChIKeyDDXWREQOADLERQ-UHFFFAOYSA-N
XLogP0.68
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione (CID 24764154) is 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione is Cn1ccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is DDXWREQOADLERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-10-5-4-7(6-10)11-8(12)2-3-9(11)13/h4-6H,2-3H2,1H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione?
1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 178.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 24764154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).