2-azidocyclopenta-1,3-diene

C5H5N3 — CID 134847862

IUPAC2-azidocyclopenta-1,3-diene
SMILES[N-]=[N+]=NC1=CCC=C1
InChIInChI=1S/C5H5N3/c6-8-7-5-3-1-2-4-5/h1,3-4H,2H2
InChIKeyFHEBXKCQICNBND-UHFFFAOYSA-N
MW107.12 g/mol
LogP2.14
Rot. Bonds1

About 2-azidocyclopenta-1,3-diene

2-azidocyclopenta-1,3-diene (PubChem CID 134847862) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 2-azidocyclopenta-1,3-diene.

Molecular Properties

Compound Name2-azidocyclopenta-1,3-diene
PubChem CID134847862
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name2-azidocyclopenta-1,3-diene
SMILES[N-]=[N+]=NC1=CCC=C1
InChIInChI=1S/C5H5N3/c6-8-7-5-3-1-2-4-5/h1,3-4H,2H2
InChIKeyFHEBXKCQICNBND-UHFFFAOYSA-N
XLogP2.14
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azidocyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclopenta-1,3-diene-1-diazonium
CID 20700900
1-Azidocyclopenta-1,3-diene
CID 101547030
2-Azido-5-propan-2-ylidenecyclopenta-1,3-diene
CID 134861620
2-Azidocyclohexa-1,3-diene
CID 19353050
2-Isocyanocyclopenta-1,3-diene
CID 85857017
Di(cyclopenta-1,3-dien-1-yl)diazene
CID 101188791
(3Z)-2-(aminodiazenyl)hexa-1,3-diene
CID 129253209
1-Azidocyclohexa-1,3-diene
CID 148242389
3,7-Dihydrocyclopenta[c]pyridazin-3-ide
CID 154427623
[(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene
CID 155699452
5-(1-Azidoethylidene)cyclopenta-1,3-diene
CID 86216881
Cyclopenta-1,4-dien-1-yldiazene
CID 136110567

Frequently Asked Questions

What is the IUPAC name of 2-azidocyclopenta-1,3-diene?
The IUPAC name of 2-azidocyclopenta-1,3-diene (CID 134847862) is 2-azidocyclopenta-1,3-diene.
What is the SMILES notation for 2-azidocyclopenta-1,3-diene?
The canonical SMILES for 2-azidocyclopenta-1,3-diene is [N-]=[N+]=NC1=CCC=C1.
What is the InChIKey of 2-azidocyclopenta-1,3-diene?
The InChIKey is FHEBXKCQICNBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c6-8-7-5-3-1-2-4-5/h1,3-4H,2H2.
What are the key properties of 2-azidocyclopenta-1,3-diene?
2-azidocyclopenta-1,3-diene has a molecular weight of 107.12 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidocyclopenta-1,3-diene is sourced from PubChem (CID 134847862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).