2-Cyclohexen-1-yl-azide

C6H9N3 — CID 11007889

IUPAC3-azidocyclohexene
SMILESC1CC=CC(C1)N=[N+]=[N-]
InChIInChI=1S/C6H9N3/c7-9-8-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKeyKKAWZKUTSDQAJT-UHFFFAOYSA-N
MW123.16 g/mol
LogP2.70
Rot. Bonds1

About 2-Cyclohexen-1-yl-azide

2-Cyclohexen-1-yl-azide (PubChem CID 11007889) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3-azidocyclohexene.

Molecular Properties

Compound Name2-Cyclohexen-1-yl-azide
PubChem CID11007889
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3-azidocyclohexene
SMILESC1CC=CC(C1)N=[N+]=[N-]
InChIInChI=1S/C6H9N3/c7-9-8-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKeyKKAWZKUTSDQAJT-UHFFFAOYSA-N
XLogP2.70
TPSA14.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'isolated_alkene', '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-Cyclohexen-1-yl-azide?
The IUPAC name of 2-Cyclohexen-1-yl-azide (CID 11007889) is 3-azidocyclohexene.
What is the SMILES notation for 2-Cyclohexen-1-yl-azide?
The canonical SMILES for 2-Cyclohexen-1-yl-azide is C1CC=CC(C1)N=[N+]=[N-].
What is the InChIKey of 2-Cyclohexen-1-yl-azide?
The InChIKey is KKAWZKUTSDQAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-9-8-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2.
What are the key properties of 2-Cyclohexen-1-yl-azide?
2-Cyclohexen-1-yl-azide has a molecular weight of 123.16 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Cyclohexen-1-yl-azide is sourced from PubChem (CID 11007889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).