(1S,6S)-6-azidocyclohex-3-en-1-ol

C6H9N3O — CID 14041488

IUPAC(1S,6S)-6-azidocyclohex-3-en-1-ol
SMILES[N-]=[N+]=N[C@H]1CC=CC[C@@H]1O
InChIInChI=1S/C6H9N3O/c7-9-8-5-3-1-2-4-6(5)10/h1-2,5-6,10H,3-4H2/t5-,6-/m0/s1
InChIKeyUHAGTQQTBGSUKD-WDSKDSINSA-N
MW139.16 g/mol
LogP1.38
Rot. Bonds1

About (1S,6S)-6-azidocyclohex-3-en-1-ol

(1S,6S)-6-azidocyclohex-3-en-1-ol (PubChem CID 14041488) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is (1S,6S)-6-azidocyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,6S)-6-azidocyclohex-3-en-1-ol
PubChem CID14041488
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name(1S,6S)-6-azidocyclohex-3-en-1-ol
SMILES[N-]=[N+]=N[C@H]1CC=CC[C@@H]1O
InChIInChI=1S/C6H9N3O/c7-9-8-5-3-1-2-4-6(5)10/h1-2,5-6,10H,3-4H2/t5-,6-/m0/s1
InChIKeyUHAGTQQTBGSUKD-WDSKDSINSA-N
XLogP1.38
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
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 (1S,6S)-6-azidocyclohex-3-en-1-ol?
The IUPAC name of (1S,6S)-6-azidocyclohex-3-en-1-ol (CID 14041488) is (1S,6S)-6-azidocyclohex-3-en-1-ol.
What is the SMILES notation for (1S,6S)-6-azidocyclohex-3-en-1-ol?
The canonical SMILES for (1S,6S)-6-azidocyclohex-3-en-1-ol is [N-]=[N+]=N[C@H]1CC=CC[C@@H]1O.
What is the InChIKey of (1S,6S)-6-azidocyclohex-3-en-1-ol?
The InChIKey is UHAGTQQTBGSUKD-WDSKDSINSA-N. The full InChI is InChI=1S/C6H9N3O/c7-9-8-5-3-1-2-4-6(5)10/h1-2,5-6,10H,3-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,6S)-6-azidocyclohex-3-en-1-ol?
(1S,6S)-6-azidocyclohex-3-en-1-ol has a molecular weight of 139.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-azidocyclohex-3-en-1-ol is sourced from PubChem (CID 14041488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).