2,5-dioxopyrrole-1-carbaldehyde

C5H3NO3 — CID 18718364

IUPAC2,5-dioxopyrrole-1-carbaldehyde
SMILESO=CN1C(=O)C=CC1=O
InChIInChI=1S/C5H3NO3/c7-3-6-4(8)1-2-5(6)9/h1-3H
InChIKeyOIMKEVCGNGZBBK-UHFFFAOYSA-N
MW125.08 g/mol
LogP-0.93
Rot. Bonds1

About 2,5-dioxopyrrole-1-carbaldehyde

2,5-dioxopyrrole-1-carbaldehyde (PubChem CID 18718364) has the molecular formula C5H3NO3 and a molecular weight of 125.08 g/mol. Its IUPAC name is 2,5-dioxopyrrole-1-carbaldehyde.

Molecular Properties

Compound Name2,5-dioxopyrrole-1-carbaldehyde
PubChem CID18718364
Molecular FormulaC5H3NO3
Molecular Weight125.08 g/mol
Exact Mass125.01
IUPAC Name2,5-dioxopyrrole-1-carbaldehyde
SMILESO=CN1C(=O)C=CC1=O
InChIInChI=1S/C5H3NO3/c7-3-6-4(8)1-2-5(6)9/h1-3H
InChIKeyOIMKEVCGNGZBBK-UHFFFAOYSA-N
XLogP-0.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.08
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-1-carbaldehyde?
The IUPAC name of 2,5-dioxopyrrole-1-carbaldehyde (CID 18718364) is 2,5-dioxopyrrole-1-carbaldehyde.
What is the SMILES notation for 2,5-dioxopyrrole-1-carbaldehyde?
The canonical SMILES for 2,5-dioxopyrrole-1-carbaldehyde is O=CN1C(=O)C=CC1=O.
What is the InChIKey of 2,5-dioxopyrrole-1-carbaldehyde?
The InChIKey is OIMKEVCGNGZBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO3/c7-3-6-4(8)1-2-5(6)9/h1-3H.
What are the key properties of 2,5-dioxopyrrole-1-carbaldehyde?
2,5-dioxopyrrole-1-carbaldehyde has a molecular weight of 125.08 g/mol, XLogP of -0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxopyrrole-1-carbaldehyde is sourced from PubChem (CID 18718364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).