cyclohexen-1-ylmethyldiazene

C7H12N2 — CID 102254599

IUPACcyclohexen-1-ylmethyldiazene
SMILES[H]/N=N/CC1=CCCCC1
InChIInChI=1S/C7H12N2/c8-9-6-7-4-2-1-3-5-7/h4,8H,1-3,5-6H2/b9-8+
InChIKeyYLNOHNFZONJQPQ-CMDGGOBGSA-N
MW124.19 g/mol
LogP2.52
Rot. Bonds2

About cyclohexen-1-ylmethyldiazene

cyclohexen-1-ylmethyldiazene (PubChem CID 102254599) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is cyclohexen-1-ylmethyldiazene.

Molecular Properties

Compound Namecyclohexen-1-ylmethyldiazene
PubChem CID102254599
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Namecyclohexen-1-ylmethyldiazene
SMILES[H]/N=N/CC1=CCCCC1
InChIInChI=1S/C7H12N2/c8-9-6-7-4-2-1-3-5-7/h4,8H,1-3,5-6H2/b9-8+
InChIKeyYLNOHNFZONJQPQ-CMDGGOBGSA-N
XLogP2.52
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohex-1-ene-1-methylamine
CID 118360
3-Azido-1-methylcyclohex-1-ene
CID 11073491
1-(Diazidomethyl)cyclohexene
CID 166447718
1-(Azidomethyl)cyclopentene
CID 15094073
Cyclohexen-1-ylmethanediamine
CID 22286832
2-(4-Methylcyclohexa-1,3-dien-1-yl)ethyldiazene
CID 90251011
6-Azido-1-methylcyclohex-1-ene
CID 91419492
1-(Azidomethyl)cyclohexene
CID 102268963
1-(2-Azidoethyl)cyclohexene
CID 130906292
Cyclohex-2-en-1-yliminoazanium
CID 163522897
1-(2-Azidoethyl)cyclohexene;molecular hydrogen
CID 167562282
(4S)-4-azido-1-methylcyclohexene
CID 15748117

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylmethyldiazene?
The IUPAC name of cyclohexen-1-ylmethyldiazene (CID 102254599) is cyclohexen-1-ylmethyldiazene.
What is the SMILES notation for cyclohexen-1-ylmethyldiazene?
The canonical SMILES for cyclohexen-1-ylmethyldiazene is [H]/N=N/CC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethyldiazene?
The InChIKey is YLNOHNFZONJQPQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H12N2/c8-9-6-7-4-2-1-3-5-7/h4,8H,1-3,5-6H2/b9-8+.
What are the key properties of cyclohexen-1-ylmethyldiazene?
cyclohexen-1-ylmethyldiazene has a molecular weight of 124.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethyldiazene is sourced from PubChem (CID 102254599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).