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

C7H7NO3 — CID 155351080

IUPAC1-acetyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(C(C)=O)C1=O
InChIInChI=1S/C7H7NO3/c1-4-3-6(10)8(5(2)9)7(4)11/h1,3H2,2H3
InChIKeyKAPSYSKOMWPCOY-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.15
Rot. Bonds

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

1-acetyl-3-methylidenepyrrolidine-2,5-dione (PubChem CID 155351080) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-acetyl-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-acetyl-3-methylidenepyrrolidine-2,5-dione
PubChem CID155351080
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1-acetyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(C(C)=O)C1=O
InChIInChI=1S/C7H7NO3/c1-4-3-6(10)8(5(2)9)7(4)11/h1,3H2,2H3
InChIKeyKAPSYSKOMWPCOY-UHFFFAOYSA-N
XLogP-0.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-acetyl-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-acetyl-3-methylidenepyrrolidine-2,5-dione (CID 155351080) is 1-acetyl-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-acetyl-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-acetyl-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(C(C)=O)C1=O.
What is the InChIKey of 1-acetyl-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is KAPSYSKOMWPCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-3-6(10)8(5(2)9)7(4)11/h1,3H2,2H3.
What are the key properties of 1-acetyl-3-methylidenepyrrolidine-2,5-dione?
1-acetyl-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 153.14 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 155351080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).