3-methyl-1-prop-1-enylpyrrolidine-2,5-dione

C8H11NO2 — CID 89177650

IUPAC3-methyl-1-prop-1-enylpyrrolidine-2,5-dione
SMILESCC=CN1C(=O)CC(C)C1=O
InChIInChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3-4,6H,5H2,1-2H3
InChIKeyLHAAKAFBEGXBLV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.92
Rot. Bonds1

About 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione

3-methyl-1-prop-1-enylpyrrolidine-2,5-dione (PubChem CID 89177650) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-prop-1-enylpyrrolidine-2,5-dione
PubChem CID89177650
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-methyl-1-prop-1-enylpyrrolidine-2,5-dione
SMILESCC=CN1C(=O)CC(C)C1=O
InChIInChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3-4,6H,5H2,1-2H3
InChIKeyLHAAKAFBEGXBLV-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-1-prop-1-enylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione (CID 89177650) is 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione is CC=CN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione?
The InChIKey is LHAAKAFBEGXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione?
3-methyl-1-prop-1-enylpyrrolidine-2,5-dione has a molecular weight of 153.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-1-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 89177650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).