2-azidocyclohex-3-en-1-ol

C6H9N3O — CID 14120522

IUPAC2-azidocyclohex-3-en-1-ol
SMILES[N-]=[N+]=NC1C=CCCC1O
InChIInChI=1S/C6H9N3O/c7-9-8-5-3-1-2-4-6(5)10/h1,3,5-6,10H,2,4H2
InChIKeyZHXMGQUMFCWLHF-UHFFFAOYSA-N
MW139.16 g/mol
LogP1.38
Rot. Bonds1

About 2-azidocyclohex-3-en-1-ol

2-azidocyclohex-3-en-1-ol (PubChem CID 14120522) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-azidocyclohex-3-en-1-ol.

Molecular Properties

Compound Name2-azidocyclohex-3-en-1-ol
PubChem CID14120522
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-azidocyclohex-3-en-1-ol
SMILES[N-]=[N+]=NC1C=CCCC1O
InChIInChI=1S/C6H9N3O/c7-9-8-5-3-1-2-4-6(5)10/h1,3,5-6,10H,2,4H2
InChIKeyZHXMGQUMFCWLHF-UHFFFAOYSA-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 2-azidocyclohex-3-en-1-ol?
The IUPAC name of 2-azidocyclohex-3-en-1-ol (CID 14120522) is 2-azidocyclohex-3-en-1-ol.
What is the SMILES notation for 2-azidocyclohex-3-en-1-ol?
The canonical SMILES for 2-azidocyclohex-3-en-1-ol is [N-]=[N+]=NC1C=CCCC1O.
What is the InChIKey of 2-azidocyclohex-3-en-1-ol?
The InChIKey is ZHXMGQUMFCWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-9-8-5-3-1-2-4-6(5)10/h1,3,5-6,10H,2,4H2.
What are the key properties of 2-azidocyclohex-3-en-1-ol?
2-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 2-azidocyclohex-3-en-1-ol is sourced from PubChem (CID 14120522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).