1-(1-azidoethenyl)cyclohexene

C8H11N3 — CID 152673295

IUPAC1-(1-azidoethenyl)cyclohexene
SMILESC=C(N=[N+]=[N-])C1=CCCCC1
InChIInChI=1S/C8H11N3/c1-7(10-11-9)8-5-3-2-4-6-8/h5H,1-4,6H2
InChIKeyZLZSHLJWRLERTR-UHFFFAOYSA-N
MW149.20 g/mol
LogP3.31
Rot. Bonds2

About 1-(1-azidoethenyl)cyclohexene

1-(1-azidoethenyl)cyclohexene (PubChem CID 152673295) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-(1-azidoethenyl)cyclohexene.

Molecular Properties

Compound Name1-(1-azidoethenyl)cyclohexene
PubChem CID152673295
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-(1-azidoethenyl)cyclohexene
SMILESC=C(N=[N+]=[N-])C1=CCCCC1
InChIInChI=1S/C8H11N3/c1-7(10-11-9)8-5-3-2-4-6-8/h5H,1-4,6H2
InChIKeyZLZSHLJWRLERTR-UHFFFAOYSA-N
XLogP3.31
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 53.31
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

3-Azido-1-ethylcyclohexa-1,3-diene
CID 57259895
6,7,8,9-tetrahydro-3H-1,2-benzodiazepine
CID 66579751
2,3-dihydro-1H-benzo[d][2,3]benzodiazepine
CID 88247013
1-Azido-4-methylcyclohexa-1,3-diene
CID 89161581
1-Azido-4-propan-2-ylcyclohexa-1,3-diene
CID 89176795
Cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene
CID 89429390
(4-Ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene
CID 91539939
(1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139404819
3-Ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete
CID 145050179
ethane;[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene
CID 145441524
[(Z)-1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)prop-1-enyl]-methyldiazene
CID 153597325
1-(Cyclohexen-1-yl)ethenamine
CID 153655151

Frequently Asked Questions

What is the IUPAC name of 1-(1-azidoethenyl)cyclohexene?
The IUPAC name of 1-(1-azidoethenyl)cyclohexene (CID 152673295) is 1-(1-azidoethenyl)cyclohexene.
What is the SMILES notation for 1-(1-azidoethenyl)cyclohexene?
The canonical SMILES for 1-(1-azidoethenyl)cyclohexene is C=C(N=[N+]=[N-])C1=CCCCC1.
What is the InChIKey of 1-(1-azidoethenyl)cyclohexene?
The InChIKey is ZLZSHLJWRLERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-7(10-11-9)8-5-3-2-4-6-8/h5H,1-4,6H2.
What are the key properties of 1-(1-azidoethenyl)cyclohexene?
1-(1-azidoethenyl)cyclohexene has a molecular weight of 149.20 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azidoethenyl)cyclohexene is sourced from PubChem (CID 152673295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).