3-methylidenepyrrolidine-2,5-dione

C5H5NO2 — CID 22172294

IUPAC3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)NC1=O
InChIInChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h1-2H2,(H,6,7,8)
InChIKeyFKAWETHEYBZGSR-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.41
Rot. Bonds

About 3-methylidenepyrrolidine-2,5-dione

3-methylidenepyrrolidine-2,5-dione (PubChem CID 22172294) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylidenepyrrolidine-2,5-dione
PubChem CID22172294
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)NC1=O
InChIInChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h1-2H2,(H,6,7,8)
InChIKeyFKAWETHEYBZGSR-UHFFFAOYSA-N
XLogP-0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 3-methylidenepyrrolidine-2,5-dione (CID 22172294) is 3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)NC1=O.
What is the InChIKey of 3-methylidenepyrrolidine-2,5-dione?
The InChIKey is FKAWETHEYBZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h1-2H2,(H,6,7,8).
What are the key properties of 3-methylidenepyrrolidine-2,5-dione?
3-methylidenepyrrolidine-2,5-dione has a molecular weight of 111.10 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 22172294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).