1-azidopropan-1-ol

C3H7N3O — CID 54301593

IUPAC1-azidopropan-1-ol
SMILESCCC(O)N=[N+]=[N-]
InChIInChI=1S/C3H7N3O/c1-2-3(7)5-6-4/h3,7H,2H2,1H3
InChIKeySEOVUYCETFJOGT-UHFFFAOYSA-N
MW101.11 g/mol
LogP1.03
Rot. Bonds2

About 1-azidopropan-1-ol

1-azidopropan-1-ol (PubChem CID 54301593) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is 1-azidopropan-1-ol.

Molecular Properties

Compound Name1-azidopropan-1-ol
PubChem CID54301593
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name1-azidopropan-1-ol
SMILESCCC(O)N=[N+]=[N-]
InChIInChI=1S/C3H7N3O/c1-2-3(7)5-6-4/h3,7H,2H2,1H3
InChIKeySEOVUYCETFJOGT-UHFFFAOYSA-N
XLogP1.03
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 51.03
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 1-azidopropan-1-ol?
The IUPAC name of 1-azidopropan-1-ol (CID 54301593) is 1-azidopropan-1-ol.
What is the SMILES notation for 1-azidopropan-1-ol?
The canonical SMILES for 1-azidopropan-1-ol is CCC(O)N=[N+]=[N-].
What is the InChIKey of 1-azidopropan-1-ol?
The InChIKey is SEOVUYCETFJOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O/c1-2-3(7)5-6-4/h3,7H,2H2,1H3.
What are the key properties of 1-azidopropan-1-ol?
1-azidopropan-1-ol has a molecular weight of 101.11 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidopropan-1-ol is sourced from PubChem (CID 54301593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).