methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate

C11H11N3O3 — CID 169462797

IUPACmethyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(C=CCN=[N+]=[N-])c(O)c1
InChIInChI=1S/C11H11N3O3/c1-17-11(16)9-5-4-8(10(15)7-9)3-2-6-13-14-12/h2-5,7,15H,6H2,1H3
InChIKeyNAWLMNXELHQNSO-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.50
Rot. Bonds4

About methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate

methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate (PubChem CID 169462797) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
PubChem CID169462797
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(C=CCN=[N+]=[N-])c(O)c1
InChIInChI=1S/C11H11N3O3/c1-17-11(16)9-5-4-8(10(15)7-9)3-2-6-13-14-12/h2-5,7,15H,6H2,1H3
InChIKeyNAWLMNXELHQNSO-UHFFFAOYSA-N
XLogP2.50
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate 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

methyl 4-(3-bromoprop-1-enyl)-3-hydroxybenzoate
CID 169476533
methyl 5-amino-2-(3-azidoprop-1-enyl)benzoate
CID 169462355
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
methyl 4-(3-amino-3-oxoprop-1-enyl)-3-hydroxybenzoate
CID 169482783
methyl 2-(3-azidoprop-1-enyl)-5-nitrobenzoate
CID 169462624
methyl 4-(2-cyanoethenyl)-3-hydroxybenzoate
CID 163217030
methyl 4-(3-azidoprop-1-enyl)-1H-pyrazole-5-carboxylate
CID 169461710
methyl 4-(3-azidoprop-1-enyl)thiophene-2-carboxylate
CID 169461595
2-(4-azidobut-1-enyl)-5-methoxyphenol
CID 170485115
2-[2-(3-azidoprop-1-enyl)-4-methoxyphenyl]acetic acid
CID 169462559
4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
methyl 3-azido-4-hydroxybenzoate
CID 62706001

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate?
The IUPAC name of methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate (CID 169462797) is methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate?
The canonical SMILES for methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate is COC(=O)c1ccc(C=CCN=[N+]=[N-])c(O)c1.
What is the InChIKey of methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate?
The InChIKey is NAWLMNXELHQNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-11(16)9-5-4-8(10(15)7-9)3-2-6-13-14-12/h2-5,7,15H,6H2,1H3.
What are the key properties of methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate?
methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate has a molecular weight of 233.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate is sourced from PubChem (CID 169462797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).