cyclohexene-1-carbonyl azide

C7H9N3O — CID 11094806

IUPACcyclohexene-1-carbonyl azide
SMILES[N-]=[N+]=NC(=O)C1=CCCCC1
InChIInChI=1S/C7H9N3O/c8-10-9-7(11)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyOSMXTHTWFYPFFY-UHFFFAOYSA-N
MW151.17 g/mol
LogP2.32
Rot. Bonds1

About cyclohexene-1-carbonyl azide

cyclohexene-1-carbonyl azide (PubChem CID 11094806) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is cyclohexene-1-carbonyl azide.

Molecular Properties

Compound Namecyclohexene-1-carbonyl azide
PubChem CID11094806
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Namecyclohexene-1-carbonyl azide
SMILES[N-]=[N+]=NC(=O)C1=CCCCC1
InChIInChI=1S/C7H9N3O/c8-10-9-7(11)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyOSMXTHTWFYPFFY-UHFFFAOYSA-N
XLogP2.32
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 52.32
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'}

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Related Compounds

Oxocyclohexenecarboxamide
CID 55284421
Cyclohexenecarboxamide
CID 11366985
N-(disulfanyl)cyclohexene-1-carboxamide
CID 146637158
CID 147215242
CID 147215242
Cyclohexene-1-carbonyl isocyanate
CID 150249560
Cyclohexene-1-carboxamide;ethane;molecular hydrogen
CID 162375470
(1E)-3-oxocyclodecene-1-carbonyl azide
CID 12641964
(1Z)-3-oxocycloundecene-1-carbonyl azide
CID 12641979
(1E)-3-oxocycloundecene-1-carbonyl azide
CID 12641980
Cycloheptene-1-carbonyl azide
CID 85828423

Frequently Asked Questions

What is the IUPAC name of cyclohexene-1-carbonyl azide?
The IUPAC name of cyclohexene-1-carbonyl azide (CID 11094806) is cyclohexene-1-carbonyl azide.
What is the SMILES notation for cyclohexene-1-carbonyl azide?
The canonical SMILES for cyclohexene-1-carbonyl azide is [N-]=[N+]=NC(=O)C1=CCCCC1.
What is the InChIKey of cyclohexene-1-carbonyl azide?
The InChIKey is OSMXTHTWFYPFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-10-9-7(11)6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of cyclohexene-1-carbonyl azide?
cyclohexene-1-carbonyl azide has a molecular weight of 151.17 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1-carbonyl azide is sourced from PubChem (CID 11094806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).