(4R)-4,5-bis(azidomethyl)cyclohexene

C8H12N6 — CID 59766093

IUPAC(4R)-4,5-bis(azidomethyl)cyclohexene
SMILES[N-]=[N+]=NCC1CC=CC[C@H]1CN=[N+]=[N-]
InChIInChI=1S/C8H12N6/c9-13-11-5-7-3-1-2-4-8(7)6-12-14-10/h1-2,7-8H,3-6H2/t7-,8?/m0/s1
InChIKeyBRUIMOOUTMMVOS-JAMMHHFISA-N
MW192.23 g/mol
LogP3.19
Rot. Bonds4

About (4R)-4,5-bis(azidomethyl)cyclohexene

(4R)-4,5-bis(azidomethyl)cyclohexene (PubChem CID 59766093) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is (4R)-4,5-bis(azidomethyl)cyclohexene.

Molecular Properties

Compound Name(4R)-4,5-bis(azidomethyl)cyclohexene
PubChem CID59766093
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name(4R)-4,5-bis(azidomethyl)cyclohexene
SMILES[N-]=[N+]=NCC1CC=CC[C@H]1CN=[N+]=[N-]
InChIInChI=1S/C8H12N6/c9-13-11-5-7-3-1-2-4-8(7)6-12-14-10/h1-2,7-8H,3-6H2/t7-,8?/m0/s1
InChIKeyBRUIMOOUTMMVOS-JAMMHHFISA-N
XLogP3.19
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of (4R)-4,5-bis(azidomethyl)cyclohexene?
The IUPAC name of (4R)-4,5-bis(azidomethyl)cyclohexene (CID 59766093) is (4R)-4,5-bis(azidomethyl)cyclohexene.
What is the SMILES notation for (4R)-4,5-bis(azidomethyl)cyclohexene?
The canonical SMILES for (4R)-4,5-bis(azidomethyl)cyclohexene is [N-]=[N+]=NCC1CC=CC[C@H]1CN=[N+]=[N-].
What is the InChIKey of (4R)-4,5-bis(azidomethyl)cyclohexene?
The InChIKey is BRUIMOOUTMMVOS-JAMMHHFISA-N. The full InChI is InChI=1S/C8H12N6/c9-13-11-5-7-3-1-2-4-8(7)6-12-14-10/h1-2,7-8H,3-6H2/t7-,8?/m0/s1.
What are the key properties of (4R)-4,5-bis(azidomethyl)cyclohexene?
(4R)-4,5-bis(azidomethyl)cyclohexene has a molecular weight of 192.23 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,5-bis(azidomethyl)cyclohexene is sourced from PubChem (CID 59766093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).