1-(azidomethyl)cyclohexene

C7H11N3 — CID 102268963

IUPAC1-(azidomethyl)cyclohexene
SMILES[N-]=[N+]=NCC1=CCCCC1
InChIInChI=1S/C7H11N3/c8-10-9-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyKPVDLCQUOBMYNO-UHFFFAOYSA-N
MW137.19 g/mol
LogP2.80
Rot. Bonds2

About 1-(azidomethyl)cyclohexene

1-(azidomethyl)cyclohexene (PubChem CID 102268963) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-(azidomethyl)cyclohexene.

Molecular Properties

Compound Name1-(azidomethyl)cyclohexene
PubChem CID102268963
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-(azidomethyl)cyclohexene
SMILES[N-]=[N+]=NCC1=CCCCC1
InChIInChI=1S/C7H11N3/c8-10-9-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyKPVDLCQUOBMYNO-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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 1-(azidomethyl)cyclohexene?
The IUPAC name of 1-(azidomethyl)cyclohexene (CID 102268963) is 1-(azidomethyl)cyclohexene.
What is the SMILES notation for 1-(azidomethyl)cyclohexene?
The canonical SMILES for 1-(azidomethyl)cyclohexene is [N-]=[N+]=NCC1=CCCCC1.
What is the InChIKey of 1-(azidomethyl)cyclohexene?
The InChIKey is KPVDLCQUOBMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-10-9-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2.
What are the key properties of 1-(azidomethyl)cyclohexene?
1-(azidomethyl)cyclohexene has a molecular weight of 137.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)cyclohexene is sourced from PubChem (CID 102268963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).