4-azidopentan-1-ol

C5H11N3O — CID 118324348

IUPAC4-azidopentan-1-ol
SMILESCC(CCCO)N=[N+]=[N-]
InChIInChI=1S/C5H11N3O/c1-5(7-8-6)3-2-4-9/h5,9H,2-4H2,1H3
InChIKeyVMKOFJBIOIMXIV-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.46
Rot. Bonds4

About 4-azidopentan-1-ol

4-azidopentan-1-ol (PubChem CID 118324348) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-azidopentan-1-ol.

Molecular Properties

Compound Name4-azidopentan-1-ol
PubChem CID118324348
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name4-azidopentan-1-ol
SMILESCC(CCCO)N=[N+]=[N-]
InChIInChI=1S/C5H11N3O/c1-5(7-8-6)3-2-4-9/h5,9H,2-4H2,1H3
InChIKeyVMKOFJBIOIMXIV-UHFFFAOYSA-N
XLogP1.46
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.46
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azidopentan-1-ol?
The IUPAC name of 4-azidopentan-1-ol (CID 118324348) is 4-azidopentan-1-ol.
What is the SMILES notation for 4-azidopentan-1-ol?
The canonical SMILES for 4-azidopentan-1-ol is CC(CCCO)N=[N+]=[N-].
What is the InChIKey of 4-azidopentan-1-ol?
The InChIKey is VMKOFJBIOIMXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-5(7-8-6)3-2-4-9/h5,9H,2-4H2,1H3.
What are the key properties of 4-azidopentan-1-ol?
4-azidopentan-1-ol has a molecular weight of 129.16 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidopentan-1-ol is sourced from PubChem (CID 118324348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).