(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide

C8H8N6O2 — CID 134862543

IUPAC(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N=[N+]=[N-]
InChIInChI=1S/C8H8N6O2/c9-13-11-7(15)5-3-1-2-4-6(5)8(16)12-14-10/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKeyQKJAZETUGRZYGX-PHDIDXHHSA-N
MW220.19 g/mol
LogP2.24
Rot. Bonds2

About (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide

(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide (PubChem CID 134862543) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide.

Molecular Properties

Compound Name(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide
PubChem CID134862543
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N=[N+]=[N-]
InChIInChI=1S/C8H8N6O2/c9-13-11-7(15)5-3-1-2-4-6(5)8(16)12-14-10/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKeyQKJAZETUGRZYGX-PHDIDXHHSA-N
XLogP2.24
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.24
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 (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide?
The IUPAC name of (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide (CID 134862543) is (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide.
What is the SMILES notation for (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide?
The canonical SMILES for (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide is [N-]=[N+]=NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N=[N+]=[N-].
What is the InChIKey of (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide?
The InChIKey is QKJAZETUGRZYGX-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H8N6O2/c9-13-11-7(15)5-3-1-2-4-6(5)8(16)12-14-10/h1-2,5-6H,3-4H2/t5-,6-/m1/s1.
What are the key properties of (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide?
(1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide has a molecular weight of 220.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-cyclohex-4-ene-1,2-dicarbonyl azide is sourced from PubChem (CID 134862543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).