3-(azidomethyl)cyclohexene

C7H11N3 — CID 118272396

IUPAC3-(azidomethyl)cyclohexene
SMILES[N-]=[N+]=NCC1C=CCCC1
InChIInChI=1S/C7H11N3/c8-10-9-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKeyJNBVOJBCTYJVRN-UHFFFAOYSA-N
MW137.19 g/mol
LogP2.65
Rot. Bonds2

About 3-(azidomethyl)cyclohexene

3-(azidomethyl)cyclohexene (PubChem CID 118272396) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-(azidomethyl)cyclohexene.

Molecular Properties

Compound Name3-(azidomethyl)cyclohexene
PubChem CID118272396
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-(azidomethyl)cyclohexene
SMILES[N-]=[N+]=NCC1C=CCCC1
InChIInChI=1S/C7H11N3/c8-10-9-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKeyJNBVOJBCTYJVRN-UHFFFAOYSA-N
XLogP2.65
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)cyclohexene?
The IUPAC name of 3-(azidomethyl)cyclohexene (CID 118272396) is 3-(azidomethyl)cyclohexene.
What is the SMILES notation for 3-(azidomethyl)cyclohexene?
The canonical SMILES for 3-(azidomethyl)cyclohexene is [N-]=[N+]=NCC1C=CCCC1.
What is the InChIKey of 3-(azidomethyl)cyclohexene?
The InChIKey is JNBVOJBCTYJVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-10-9-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2.
What are the key properties of 3-(azidomethyl)cyclohexene?
3-(azidomethyl)cyclohexene has a molecular weight of 137.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)cyclohexene is sourced from PubChem (CID 118272396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).