2-oxopentanedioyl diazide

C5H4N6O3 — CID 142765707

IUPAC2-oxopentanedioyl diazide
SMILES[N-]=[N+]=NC(=O)CCC(=O)C(=O)N=[N+]=[N-]
InChIInChI=1S/C5H4N6O3/c6-10-8-4(13)2-1-3(12)5(14)9-11-7/h1-2H2
InChIKeyWRBYOHYHVAHUOH-UHFFFAOYSA-N
MW196.13 g/mol
LogP1.01
Rot. Bonds4

About 2-oxopentanedioyl diazide

2-oxopentanedioyl diazide (PubChem CID 142765707) has the molecular formula C5H4N6O3 and a molecular weight of 196.13 g/mol. Its IUPAC name is 2-oxopentanedioyl diazide.

Molecular Properties

Compound Name2-oxopentanedioyl diazide
PubChem CID142765707
Molecular FormulaC5H4N6O3
Molecular Weight196.13 g/mol
Exact Mass196.03
IUPAC Name2-oxopentanedioyl diazide
SMILES[N-]=[N+]=NC(=O)CCC(=O)C(=O)N=[N+]=[N-]
InChIInChI=1S/C5H4N6O3/c6-10-8-4(13)2-1-3(12)5(14)9-11-7/h1-2H2
InChIKeyWRBYOHYHVAHUOH-UHFFFAOYSA-N
XLogP1.01
TPSA148.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxopentanedioyl diazide?
The IUPAC name of 2-oxopentanedioyl diazide (CID 142765707) is 2-oxopentanedioyl diazide.
What is the SMILES notation for 2-oxopentanedioyl diazide?
The canonical SMILES for 2-oxopentanedioyl diazide is [N-]=[N+]=NC(=O)CCC(=O)C(=O)N=[N+]=[N-].
What is the InChIKey of 2-oxopentanedioyl diazide?
The InChIKey is WRBYOHYHVAHUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6O3/c6-10-8-4(13)2-1-3(12)5(14)9-11-7/h1-2H2.
What are the key properties of 2-oxopentanedioyl diazide?
2-oxopentanedioyl diazide has a molecular weight of 196.13 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopentanedioyl diazide is sourced from PubChem (CID 142765707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).