(1R)-3-azido-1-phenylpropan-1-ol

C9H11N3O — CID 10943006

IUPAC(1R)-3-azido-1-phenylpropan-1-ol
SMILES[N-]=[N+]=NCC[C@@H](O)c1ccccc1
InChIInChI=1S/C9H11N3O/c10-12-11-7-6-9(13)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2/t9-/m1/s1
InChIKeyLLAUTEBALZSNHB-SECBINFHSA-N
MW177.21 g/mol
LogP2.42
Rot. Bonds4

About (1R)-3-azido-1-phenylpropan-1-ol

(1R)-3-azido-1-phenylpropan-1-ol (PubChem CID 10943006) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (1R)-3-azido-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-azido-1-phenylpropan-1-ol
PubChem CID10943006
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(1R)-3-azido-1-phenylpropan-1-ol
SMILES[N-]=[N+]=NCC[C@@H](O)c1ccccc1
InChIInChI=1S/C9H11N3O/c10-12-11-7-6-9(13)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2/t9-/m1/s1
InChIKeyLLAUTEBALZSNHB-SECBINFHSA-N
XLogP2.42
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.42
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 (1R)-3-azido-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-azido-1-phenylpropan-1-ol (CID 10943006) is (1R)-3-azido-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-azido-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-azido-1-phenylpropan-1-ol is [N-]=[N+]=NCC[C@@H](O)c1ccccc1.
What is the InChIKey of (1R)-3-azido-1-phenylpropan-1-ol?
The InChIKey is LLAUTEBALZSNHB-SECBINFHSA-N. The full InChI is InChI=1S/C9H11N3O/c10-12-11-7-6-9(13)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2/t9-/m1/s1.
What are the key properties of (1R)-3-azido-1-phenylpropan-1-ol?
(1R)-3-azido-1-phenylpropan-1-ol has a molecular weight of 177.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-azido-1-phenylpropan-1-ol is sourced from PubChem (CID 10943006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).