2-azido-4-methoxybutan-1-ol

C5H11N3O2 — CID 152706531

IUPAC2-azido-4-methoxybutan-1-ol
SMILESCOCCC(CO)N=[N+]=[N-]
InChIInChI=1S/C5H11N3O2/c1-10-3-2-5(4-9)7-8-6/h5,9H,2-4H2,1H3
InChIKeyZSROLOGXABSVNR-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.69
Rot. Bonds5

About 2-azido-4-methoxybutan-1-ol

2-azido-4-methoxybutan-1-ol (PubChem CID 152706531) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-azido-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2-azido-4-methoxybutan-1-ol
PubChem CID152706531
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-azido-4-methoxybutan-1-ol
SMILESCOCCC(CO)N=[N+]=[N-]
InChIInChI=1S/C5H11N3O2/c1-10-3-2-5(4-9)7-8-6/h5,9H,2-4H2,1H3
InChIKeyZSROLOGXABSVNR-UHFFFAOYSA-N
XLogP0.69
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.69
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-azido-4-methoxybutan-1-ol?
The IUPAC name of 2-azido-4-methoxybutan-1-ol (CID 152706531) is 2-azido-4-methoxybutan-1-ol.
What is the SMILES notation for 2-azido-4-methoxybutan-1-ol?
The canonical SMILES for 2-azido-4-methoxybutan-1-ol is COCCC(CO)N=[N+]=[N-].
What is the InChIKey of 2-azido-4-methoxybutan-1-ol?
The InChIKey is ZSROLOGXABSVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-10-3-2-5(4-9)7-8-6/h5,9H,2-4H2,1H3.
What are the key properties of 2-azido-4-methoxybutan-1-ol?
2-azido-4-methoxybutan-1-ol has a molecular weight of 145.16 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-methoxybutan-1-ol is sourced from PubChem (CID 152706531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).