4-methylidene-2,5-dioxopyrrolidine-3-carboxamide

C6H6N2O3 — CID 67572434

IUPAC4-methylidene-2,5-dioxopyrrolidine-3-carboxamide
SMILESC=C1C(=O)NC(=O)C1C(N)=O
InChIInChI=1S/C6H6N2O3/c1-2-3(4(7)9)6(11)8-5(2)10/h3H,1H2,(H2,7,9)(H,8,10,11)
InChIKeyIEDXPVAIZQXPKP-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.70
Rot. Bonds1

About 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide

4-methylidene-2,5-dioxopyrrolidine-3-carboxamide (PubChem CID 67572434) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methylidene-2,5-dioxopyrrolidine-3-carboxamide
PubChem CID67572434
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name4-methylidene-2,5-dioxopyrrolidine-3-carboxamide
SMILESC=C1C(=O)NC(=O)C1C(N)=O
InChIInChI=1S/C6H6N2O3/c1-2-3(4(7)9)6(11)8-5(2)10/h3H,1H2,(H2,7,9)(H,8,10,11)
InChIKeyIEDXPVAIZQXPKP-UHFFFAOYSA-N
XLogP-1.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide (CID 67572434) is 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide is C=C1C(=O)NC(=O)C1C(N)=O.
What is the InChIKey of 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is IEDXPVAIZQXPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-2-3(4(7)9)6(11)8-5(2)10/h3H,1H2,(H2,7,9)(H,8,10,11).
What are the key properties of 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide?
4-methylidene-2,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 154.12 g/mol, XLogP of -1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 67572434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).