6-azido-1-ethenylcyclohexene

C8H11N3 — CID 101490378

IUPAC6-azido-1-ethenylcyclohexene
SMILESC=CC1=CCCCC1N=[N+]=[N-]
InChIInChI=1S/C8H11N3/c1-2-7-5-3-4-6-8(7)10-11-9/h2,5,8H,1,3-4,6H2
InChIKeyYLGARYHENMJQOA-UHFFFAOYSA-N
MW149.20 g/mol
LogP2.96
Rot. Bonds2

About 6-azido-1-ethenylcyclohexene

6-azido-1-ethenylcyclohexene (PubChem CID 101490378) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 6-azido-1-ethenylcyclohexene.

Molecular Properties

Compound Name6-azido-1-ethenylcyclohexene
PubChem CID101490378
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name6-azido-1-ethenylcyclohexene
SMILESC=CC1=CCCCC1N=[N+]=[N-]
InChIInChI=1S/C8H11N3/c1-2-7-5-3-4-6-8(7)10-11-9/h2,5,8H,1,3-4,6H2
InChIKeyYLGARYHENMJQOA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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 6-azido-1-ethenylcyclohexene 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

2-Cyclohexen-1-yl-azide
CID 11007889
3-Azido-1-methylcyclohex-1-ene
CID 11073491
4-Azidobutylbenzene;nobelium
CID 59154714
6,7,8,9-tetrahydro-3H-1,2-benzodiazepine
CID 66579751
3-Azido-1-ethyl-cyclohexene
CID 86623795
(2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene
CID 89129566
2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene
CID 90160209
1-(1-Thionitrosopropyl)cyclohexa-1,3-diene
CID 90890793
6-Azido-1-ethylcyclohexene
CID 90971042
3,7,8,8a-Tetrahydrocinnoline
CID 91168124
3,5,8,8a-Tetrahydrocinnoline
CID 91222273
6-Azido-1-methylcyclohex-1-ene
CID 91419492

Frequently Asked Questions

What is the IUPAC name of 6-azido-1-ethenylcyclohexene?
The IUPAC name of 6-azido-1-ethenylcyclohexene (CID 101490378) is 6-azido-1-ethenylcyclohexene.
What is the SMILES notation for 6-azido-1-ethenylcyclohexene?
The canonical SMILES for 6-azido-1-ethenylcyclohexene is C=CC1=CCCCC1N=[N+]=[N-].
What is the InChIKey of 6-azido-1-ethenylcyclohexene?
The InChIKey is YLGARYHENMJQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-7-5-3-4-6-8(7)10-11-9/h2,5,8H,1,3-4,6H2.
What are the key properties of 6-azido-1-ethenylcyclohexene?
6-azido-1-ethenylcyclohexene has a molecular weight of 149.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-1-ethenylcyclohexene is sourced from PubChem (CID 101490378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).