2,5-diazidocyclopentan-1-ol

C5H8N6O — CID 85255446

IUPAC2,5-diazidocyclopentan-1-ol
SMILES[N-]=[N+]=NC1CCC(N=[N+]=[N-])C1O
InChIInChI=1S/C5H8N6O/c6-10-8-3-1-2-4(5(3)12)9-11-7/h3-5,12H,1-2H2
InChIKeyUYVNWQUPOZUDRP-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.50
Rot. Bonds2

About 2,5-diazidocyclopentan-1-ol

2,5-diazidocyclopentan-1-ol (PubChem CID 85255446) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2,5-diazidocyclopentan-1-ol.

Molecular Properties

Compound Name2,5-diazidocyclopentan-1-ol
PubChem CID85255446
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2,5-diazidocyclopentan-1-ol
SMILES[N-]=[N+]=NC1CCC(N=[N+]=[N-])C1O
InChIInChI=1S/C5H8N6O/c6-10-8-3-1-2-4(5(3)12)9-11-7/h3-5,12H,1-2H2
InChIKeyUYVNWQUPOZUDRP-UHFFFAOYSA-N
XLogP1.50
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diazidocyclopentan-1-ol?
The IUPAC name of 2,5-diazidocyclopentan-1-ol (CID 85255446) is 2,5-diazidocyclopentan-1-ol.
What is the SMILES notation for 2,5-diazidocyclopentan-1-ol?
The canonical SMILES for 2,5-diazidocyclopentan-1-ol is [N-]=[N+]=NC1CCC(N=[N+]=[N-])C1O.
What is the InChIKey of 2,5-diazidocyclopentan-1-ol?
The InChIKey is UYVNWQUPOZUDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c6-10-8-3-1-2-4(5(3)12)9-11-7/h3-5,12H,1-2H2.
What are the key properties of 2,5-diazidocyclopentan-1-ol?
2,5-diazidocyclopentan-1-ol has a molecular weight of 168.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazidocyclopentan-1-ol is sourced from PubChem (CID 85255446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).