1-methyl-3-methylidenepyrrolidine-2,5-dione

C6H7NO2 — CID 13230836

IUPAC1-methyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(C)C1=O
InChIInChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InChIKeyQSWFISOPXPJUCT-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.07
Rot. Bonds

About 1-methyl-3-methylidenepyrrolidine-2,5-dione

1-methyl-3-methylidenepyrrolidine-2,5-dione (PubChem CID 13230836) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-methyl-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-methylidenepyrrolidine-2,5-dione
PubChem CID13230836
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-methyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(C)C1=O
InChIInChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InChIKeyQSWFISOPXPJUCT-UHFFFAOYSA-N
XLogP-0.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
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 1-methyl-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-methylidenepyrrolidine-2,5-dione (CID 13230836) is 1-methyl-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is QSWFISOPXPJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3.
What are the key properties of 1-methyl-3-methylidenepyrrolidine-2,5-dione?
1-methyl-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 125.13 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 13230836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).