(E)-3-azido-3-phenylprop-2-en-1-ol

C9H9N3O — CID 162414746

IUPAC(E)-3-azido-3-phenylprop-2-en-1-ol
SMILES[N-]=[N+]=N/C(=C/CO)c1ccccc1
InChIInChI=1S/C9H9N3O/c10-12-11-9(6-7-13)8-4-2-1-3-5-8/h1-6,13H,7H2/b9-6+
InChIKeyVHLDKMSZQRSPKH-RMKNXTFCSA-N
MW175.19 g/mol
LogP2.33
Rot. Bonds3

About (E)-3-azido-3-phenylprop-2-en-1-ol

(E)-3-azido-3-phenylprop-2-en-1-ol (PubChem CID 162414746) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (E)-3-azido-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-azido-3-phenylprop-2-en-1-ol
PubChem CID162414746
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(E)-3-azido-3-phenylprop-2-en-1-ol
SMILES[N-]=[N+]=N/C(=C/CO)c1ccccc1
InChIInChI=1S/C9H9N3O/c10-12-11-9(6-7-13)8-4-2-1-3-5-8/h1-6,13H,7H2/b9-6+
InChIKeyVHLDKMSZQRSPKH-RMKNXTFCSA-N
XLogP2.33
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.33
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'}

Analyze (E)-3-azido-3-phenylprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol
CID 11356258
[(E)-1-azidoprop-1-enyl]benzene
CID 12280665
(Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol
CID 101242056
(Z)-3-azido-3-(4-bromophenyl)prop-2-en-1-ol
CID 101242057
1-Azidoprop-1-enylbenzene
CID 85773975
(Z)-3-azido-3-phenylprop-2-en-1-ol
CID 11469371
[(Z)-1-azido-2-methoxyethenyl]benzene
CID 14088932
(E)-2-amino-2-(3-fluorophenyl)ethenol
CID 133614267
2-Amino-2-(2-fluorophenyl)ethen-1-ol
CID 155289871
(Z)-2-isocyano-2-(4-methylphenyl)ethenol
CID 21049963
(Aminodiazenyl)methylbenzene;ethanol
CID 23124031
beta-Nitrocinnamyl alcohol
CID 54473650

Frequently Asked Questions

What is the IUPAC name of (E)-3-azido-3-phenylprop-2-en-1-ol?
The IUPAC name of (E)-3-azido-3-phenylprop-2-en-1-ol (CID 162414746) is (E)-3-azido-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-azido-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-3-azido-3-phenylprop-2-en-1-ol is [N-]=[N+]=N/C(=C/CO)c1ccccc1.
What is the InChIKey of (E)-3-azido-3-phenylprop-2-en-1-ol?
The InChIKey is VHLDKMSZQRSPKH-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H9N3O/c10-12-11-9(6-7-13)8-4-2-1-3-5-8/h1-6,13H,7H2/b9-6+.
What are the key properties of (E)-3-azido-3-phenylprop-2-en-1-ol?
(E)-3-azido-3-phenylprop-2-en-1-ol has a molecular weight of 175.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-azido-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 162414746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).