(Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol

C9H8ClN3O — CID 11356258

IUPAC(Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol
SMILES[N-]=[N+]=N/C(=C\CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3O/c10-8-3-1-7(2-4-8)9(5-6-14)12-13-11/h1-5,14H,6H2/b9-5-
InChIKeyZEFNMRWDPIBZAA-UITAMQMPSA-N
MW209.64 g/mol
LogP2.98
Rot. Bonds3

About (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol

(Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol (PubChem CID 11356258) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol
PubChem CID11356258
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name(Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol
SMILES[N-]=[N+]=N/C(=C\CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3O/c10-8-3-1-7(2-4-8)9(5-6-14)12-13-11/h1-5,14H,6H2/b9-5-
InChIKeyZEFNMRWDPIBZAA-UITAMQMPSA-N
XLogP2.98
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.98
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 (Z)-3-azido-3-(4-chlorophenyl)prop-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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol (CID 11356258) is (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol is [N-]=[N+]=N/C(=C\CO)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol?
The InChIKey is ZEFNMRWDPIBZAA-UITAMQMPSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-8-3-1-7(2-4-8)9(5-6-14)12-13-11/h1-5,14H,6H2/b9-5-.
What are the key properties of (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol?
(Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol has a molecular weight of 209.64 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-azido-3-(4-chlorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 11356258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).