2,5-dioxopyrrole-3-carboxamide

C5H4N2O3 — CID 19801261

IUPAC2,5-dioxopyrrole-3-carboxamide
SMILESNC(=O)C1=CC(=O)NC1=O
InChIInChI=1S/C5H4N2O3/c6-4(9)2-1-3(8)7-5(2)10/h1H,(H2,6,9)(H,7,8,10)
InChIKeyKEHFAQOQDDQGAU-UHFFFAOYSA-N
MW140.10 g/mol
LogP-1.95
Rot. Bonds1

About 2,5-dioxopyrrole-3-carboxamide

2,5-dioxopyrrole-3-carboxamide (PubChem CID 19801261) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is 2,5-dioxopyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxopyrrole-3-carboxamide
PubChem CID19801261
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name2,5-dioxopyrrole-3-carboxamide
SMILESNC(=O)C1=CC(=O)NC1=O
InChIInChI=1S/C5H4N2O3/c6-4(9)2-1-3(8)7-5(2)10/h1H,(H2,6,9)(H,7,8,10)
InChIKeyKEHFAQOQDDQGAU-UHFFFAOYSA-N
XLogP-1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxopyrrole-3-carboxamide?
The IUPAC name of 2,5-dioxopyrrole-3-carboxamide (CID 19801261) is 2,5-dioxopyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dioxopyrrole-3-carboxamide?
The canonical SMILES for 2,5-dioxopyrrole-3-carboxamide is NC(=O)C1=CC(=O)NC1=O.
What is the InChIKey of 2,5-dioxopyrrole-3-carboxamide?
The InChIKey is KEHFAQOQDDQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3/c6-4(9)2-1-3(8)7-5(2)10/h1H,(H2,6,9)(H,7,8,10).
What are the key properties of 2,5-dioxopyrrole-3-carboxamide?
2,5-dioxopyrrole-3-carboxamide has a molecular weight of 140.10 g/mol, XLogP of -1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxopyrrole-3-carboxamide is sourced from PubChem (CID 19801261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).