3-diazopiperidine-2,6-dione

C5H5N3O2 — CID 71342347

IUPAC3-diazopiperidine-2,6-dione
SMILES[N-]=[N+]=C1CCC(=O)NC1=O
InChIInChI=1S/C5H5N3O2/c6-8-3-1-2-4(9)7-5(3)10/h1-2H2,(H,7,9,10)
InChIKeyAXPZVMOYJPRJAD-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.91
Rot. Bonds

About 3-diazopiperidine-2,6-dione

3-diazopiperidine-2,6-dione (PubChem CID 71342347) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 3-diazopiperidine-2,6-dione.

Molecular Properties

Compound Name3-diazopiperidine-2,6-dione
PubChem CID71342347
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name3-diazopiperidine-2,6-dione
SMILES[N-]=[N+]=C1CCC(=O)NC1=O
InChIInChI=1S/C5H5N3O2/c6-8-3-1-2-4(9)7-5(3)10/h1-2H2,(H,7,9,10)
InChIKeyAXPZVMOYJPRJAD-UHFFFAOYSA-N
XLogP-0.91
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

hydron;pyrrolidine-2,5-dione
CID 174652792
CID 70395227
CID 70395227
CID 157384744
CID 157384744
pyrrolidine-2,5-dione;sulfanylidenemolybdenum
CID 158754348
dimethylsulfanium;pyrrolidine-2,5-dione;chloride
CID 22025404
hydron;pyrrolidine-2,5-dione;tetrafluoroborate
CID 174783569
oxalic acid;pyrrolidine-2,5-dione
CID 19913999
oxalic acid;bis(pyrrolidine-2,5-dione)
CID 175829217
2-methylprop-1-ene;pyrrolidine-2,5-dione
CID 22145183
1,3-dioxolan-2-one;pyrrolidine-2,5-dione
CID 66849817
sodium piperidine-2,6-dione
CID 22619648
5-diazo-2,3,3a,6,7,7a-hexahydro-1H-inden-4-one
CID 173255778

Frequently Asked Questions

What is the IUPAC name of 3-diazopiperidine-2,6-dione?
The IUPAC name of 3-diazopiperidine-2,6-dione (CID 71342347) is 3-diazopiperidine-2,6-dione.
What is the SMILES notation for 3-diazopiperidine-2,6-dione?
The canonical SMILES for 3-diazopiperidine-2,6-dione is [N-]=[N+]=C1CCC(=O)NC1=O.
What is the InChIKey of 3-diazopiperidine-2,6-dione?
The InChIKey is AXPZVMOYJPRJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-8-3-1-2-4(9)7-5(3)10/h1-2H2,(H,7,9,10).
What are the key properties of 3-diazopiperidine-2,6-dione?
3-diazopiperidine-2,6-dione has a molecular weight of 139.11 g/mol, XLogP of -0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazopiperidine-2,6-dione is sourced from PubChem (CID 71342347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).