2-azidobutan-1-ol

C4H9N3O — CID 15536141

IUPAC2-azidobutan-1-ol
SMILESCCC(CO)N=[N+]=[N-]
InChIInChI=1S/C4H9N3O/c1-2-4(3-8)6-7-5/h4,8H,2-3H2,1H3
InChIKeyJTHXGTVGYLMCJQ-UHFFFAOYSA-N
MW115.14 g/mol
LogP1.07
Rot. Bonds3

About 2-azidobutan-1-ol

2-azidobutan-1-ol (PubChem CID 15536141) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-azidobutan-1-ol.

Molecular Properties

Compound Name2-azidobutan-1-ol
PubChem CID15536141
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-azidobutan-1-ol
SMILESCCC(CO)N=[N+]=[N-]
InChIInChI=1S/C4H9N3O/c1-2-4(3-8)6-7-5/h4,8H,2-3H2,1H3
InChIKeyJTHXGTVGYLMCJQ-UHFFFAOYSA-N
XLogP1.07
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 51.07
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 2-azidobutan-1-ol?
The IUPAC name of 2-azidobutan-1-ol (CID 15536141) is 2-azidobutan-1-ol.
What is the SMILES notation for 2-azidobutan-1-ol?
The canonical SMILES for 2-azidobutan-1-ol is CCC(CO)N=[N+]=[N-].
What is the InChIKey of 2-azidobutan-1-ol?
The InChIKey is JTHXGTVGYLMCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-2-4(3-8)6-7-5/h4,8H,2-3H2,1H3.
What are the key properties of 2-azidobutan-1-ol?
2-azidobutan-1-ol has a molecular weight of 115.14 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidobutan-1-ol is sourced from PubChem (CID 15536141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).