3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione

C8H9NO3 — CID 67066617

IUPAC3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
SMILESC=C(C)C(=O)C1CC(=O)NC1=O
InChIInChI=1S/C8H9NO3/c1-4(2)7(11)5-3-6(10)9-8(5)12/h5H,1,3H2,2H3,(H,9,10,12)
InChIKeyFLCHTFNOXYTTDK-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.21
Rot. Bonds2

About 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione

3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione (PubChem CID 67066617) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
PubChem CID67066617
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
SMILESC=C(C)C(=O)C1CC(=O)NC1=O
InChIInChI=1S/C8H9NO3/c1-4(2)7(11)5-3-6(10)9-8(5)12/h5H,1,3H2,2H3,(H,9,10,12)
InChIKeyFLCHTFNOXYTTDK-UHFFFAOYSA-N
XLogP-0.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2-methylprop-2-enoyl)pyrrolidine-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-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione (CID 67066617) is 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione is C=C(C)C(=O)C1CC(=O)NC1=O.
What is the InChIKey of 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione?
The InChIKey is FLCHTFNOXYTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4(2)7(11)5-3-6(10)9-8(5)12/h5H,1,3H2,2H3,(H,9,10,12).
What are the key properties of 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione?
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione has a molecular weight of 167.16 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67066617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).