3-azido-1-ethylcyclohexene

C8H13N3 — CID 86623795

IUPAC3-azido-1-ethylcyclohexene
SMILESCCC1=CC(N=[N+]=[N-])CCC1
InChIInChI=1S/C8H13N3/c1-2-7-4-3-5-8(6-7)10-11-9/h6,8H,2-5H2,1H3
InChIKeyMEMQITJSZWZWKO-UHFFFAOYSA-N
MW151.21 g/mol
LogP3.19
Rot. Bonds2

About 3-azido-1-ethylcyclohexene

3-azido-1-ethylcyclohexene (PubChem CID 86623795) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-azido-1-ethylcyclohexene.

Molecular Properties

Compound Name3-azido-1-ethylcyclohexene
PubChem CID86623795
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-azido-1-ethylcyclohexene
SMILESCCC1=CC(N=[N+]=[N-])CCC1
InChIInChI=1S/C8H13N3/c1-2-7-4-3-5-8(6-7)10-11-9/h6,8H,2-5H2,1H3
InChIKeyMEMQITJSZWZWKO-UHFFFAOYSA-N
XLogP3.19
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 53.19
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-Azido-1-methylcyclohex-1-ene
CID 11073491
3-Azido-1,5,5-trimethyl-1-cyclohexene
CID 10888275
6-Azido-1-ethenylcyclohexene
CID 101490378
(Z)-4-azidonon-2-ene
CID 134907628
6-Azido-2-methylhept-2-ene
CID 13512615
1-(Azidomethyl)-2-methylcyclohexene
CID 18621671
1-(Azidomethyl)-2-ethylcyclohexene
CID 18621686
(6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene
CID 58664993
(3R,4S,5S)-3-azido-5-ethenyl-1,4-dimethylcyclohexene
CID 59076484
(3R,5S)-3-azido-5-ethenyl-1,4-dimethylcyclohexene
CID 59076594
3-(cyclononen-1-yl)-4,5,6,7,8,9-hexahydro-3H-diazonine
CID 77181484
3-(Cycloundecen-1-yl)-1,2-diazacycloundecene
CID 77181552

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-ethylcyclohexene?
The IUPAC name of 3-azido-1-ethylcyclohexene (CID 86623795) is 3-azido-1-ethylcyclohexene.
What is the SMILES notation for 3-azido-1-ethylcyclohexene?
The canonical SMILES for 3-azido-1-ethylcyclohexene is CCC1=CC(N=[N+]=[N-])CCC1.
What is the InChIKey of 3-azido-1-ethylcyclohexene?
The InChIKey is MEMQITJSZWZWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-7-4-3-5-8(6-7)10-11-9/h6,8H,2-5H2,1H3.
What are the key properties of 3-azido-1-ethylcyclohexene?
3-azido-1-ethylcyclohexene has a molecular weight of 151.21 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-ethylcyclohexene is sourced from PubChem (CID 86623795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).