1-(diazidomethyl)cyclohexene

C7H10N6 — CID 166447718

IUPAC1-(diazidomethyl)cyclohexene
SMILES[N-]=[N+]=NC(N=[N+]=[N-])C1=CCCCC1
InChIInChI=1S/C7H10N6/c8-12-10-7(11-13-9)6-4-2-1-3-5-6/h4,7H,1-3,5H2
InChIKeyNADOKRMGDCYKTQ-UHFFFAOYSA-N
MW178.20 g/mol
LogP3.43
Rot. Bonds3

About 1-(diazidomethyl)cyclohexene

1-(diazidomethyl)cyclohexene (PubChem CID 166447718) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-(diazidomethyl)cyclohexene.

Molecular Properties

Compound Name1-(diazidomethyl)cyclohexene
PubChem CID166447718
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-(diazidomethyl)cyclohexene
SMILES[N-]=[N+]=NC(N=[N+]=[N-])C1=CCCCC1
InChIInChI=1S/C7H10N6/c8-12-10-7(11-13-9)6-4-2-1-3-5-6/h4,7H,1-3,5H2
InChIKeyNADOKRMGDCYKTQ-UHFFFAOYSA-N
XLogP3.43
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
1-(Azidomethyl)cyclopentene
CID 15094073
Cyclohexen-1-ylmethanediamine
CID 22286832
6-Azido-1-methylcyclohex-1-ene
CID 91419492
1-(Azidomethyl)cyclohexene
CID 102268963
1-(2-Azidoethyl)cyclohexene
CID 130906292
1-(2-Azidoethyl)cyclohexene;molecular hydrogen
CID 167562282
(4S)-4-azido-1-methylcyclohexene
CID 15748117
(4R)-4-azido-1-methylcyclohexene
CID 15748118
4-Azido-1-methylcyclohexene
CID 85641446
1-(Azidomethyl)cycloheptene
CID 101779656
Cyclohexen-1-ylmethyldiazene
CID 102254599

Frequently Asked Questions

What is the IUPAC name of 1-(diazidomethyl)cyclohexene?
The IUPAC name of 1-(diazidomethyl)cyclohexene (CID 166447718) is 1-(diazidomethyl)cyclohexene.
What is the SMILES notation for 1-(diazidomethyl)cyclohexene?
The canonical SMILES for 1-(diazidomethyl)cyclohexene is [N-]=[N+]=NC(N=[N+]=[N-])C1=CCCCC1.
What is the InChIKey of 1-(diazidomethyl)cyclohexene?
The InChIKey is NADOKRMGDCYKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c8-12-10-7(11-13-9)6-4-2-1-3-5-6/h4,7H,1-3,5H2.
What are the key properties of 1-(diazidomethyl)cyclohexene?
1-(diazidomethyl)cyclohexene has a molecular weight of 178.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazidomethyl)cyclohexene is sourced from PubChem (CID 166447718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).