2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde

C6H6N2O3 — CID 175246289

IUPAC2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde
SMILESO=CCNN1C(=O)C=CC1=O
InChIInChI=1S/C6H6N2O3/c9-4-3-7-8-5(10)1-2-6(8)11/h1-2,4,7H,3H2
InChIKeyYOBFZLUGESIXGS-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.39
Rot. Bonds3

About 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde

2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde (PubChem CID 175246289) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde
PubChem CID175246289
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde
SMILESO=CCNN1C(=O)C=CC1=O
InChIInChI=1S/C6H6N2O3/c9-4-3-7-8-5(10)1-2-6(8)11/h1-2,4,7H,3H2
InChIKeyYOBFZLUGESIXGS-UHFFFAOYSA-N
XLogP-1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde?
The IUPAC name of 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde (CID 175246289) is 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde?
The canonical SMILES for 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde is O=CCNN1C(=O)C=CC1=O.
What is the InChIKey of 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde?
The InChIKey is YOBFZLUGESIXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-4-3-7-8-5(10)1-2-6(8)11/h1-2,4,7H,3H2.
What are the key properties of 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde?
2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde has a molecular weight of 154.12 g/mol, XLogP of -1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrol-1-yl)amino]acetaldehyde is sourced from PubChem (CID 175246289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).