3-methylidenepyrrolidine-2,5-dione;prop-2-enamide

C8H10N2O3 — CID 159591311

IUPAC3-methylidenepyrrolidine-2,5-dione;prop-2-enamide
SMILESC=C1CC(=O)NC1=O.C=CC(N)=O
InChIInChI=1S/C5H5NO2.C3H5NO/c1-3-2-4(7)6-5(3)8;1-2-3(4)5/h1-2H2,(H,6,7,8);2H,1H2,(H2,4,5)
InChIKeyMKGVJHNIQQNNDC-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.75
Rot. Bonds1

About 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide

3-methylidenepyrrolidine-2,5-dione;prop-2-enamide (PubChem CID 159591311) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide.

Molecular Properties

Compound Name3-methylidenepyrrolidine-2,5-dione;prop-2-enamide
PubChem CID159591311
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-methylidenepyrrolidine-2,5-dione;prop-2-enamide
SMILESC=C1CC(=O)NC1=O.C=CC(N)=O
InChIInChI=1S/C5H5NO2.C3H5NO/c1-3-2-4(7)6-5(3)8;1-2-3(4)5/h1-2H2,(H,6,7,8);2H,1H2,(H2,4,5)
InChIKeyMKGVJHNIQQNNDC-UHFFFAOYSA-N
XLogP-0.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide 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-methylidenepyrrolidine-2,5-dione;prop-2-enamide?
The IUPAC name of 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide (CID 159591311) is 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide.
What is the SMILES notation for 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide?
The canonical SMILES for 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide is C=C1CC(=O)NC1=O.C=CC(N)=O.
What is the InChIKey of 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide?
The InChIKey is MKGVJHNIQQNNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C3H5NO/c1-3-2-4(7)6-5(3)8;1-2-3(4)5/h1-2H2,(H,6,7,8);2H,1H2,(H2,4,5).
What are the key properties of 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide?
3-methylidenepyrrolidine-2,5-dione;prop-2-enamide has a molecular weight of 182.18 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepyrrolidine-2,5-dione;prop-2-enamide is sourced from PubChem (CID 159591311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).