5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid

C8H7N3O2S — CID 169461355

IUPAC5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid
SMILES[N-]=[N+]=NCC=Cc1cc(C(=O)O)cs1
InChIInChI=1S/C8H7N3O2S/c9-11-10-3-1-2-7-4-6(5-14-7)8(12)13/h1-2,4-5H,3H2,(H,12,13)
InChIKeyCLWLVHIGGICSJR-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.77
Rot. Bonds4

About 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid

5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid (PubChem CID 169461355) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid
PubChem CID169461355
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid
SMILES[N-]=[N+]=NCC=Cc1cc(C(=O)O)cs1
InChIInChI=1S/C8H7N3O2S/c9-11-10-3-1-2-7-4-6(5-14-7)8(12)13/h1-2,4-5H,3H2,(H,12,13)
InChIKeyCLWLVHIGGICSJR-UHFFFAOYSA-N
XLogP2.77
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
methyl 4-(3-azidoprop-1-enyl)thiophene-2-carboxylate
CID 169461595
2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid
CID 169462111
5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169462114
2-(3-azidoprop-1-enyl)-6-chlorobenzoic acid
CID 169461967
3-(3-azidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169461810
2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde
CID 169461297
1-[4-(3-azidoprop-1-enyl)phenyl]-2-methylpropan-1-one
CID 169462265
3-[4-(3-azidoprop-1-enyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 169462672
methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
CID 169462797
2-[2-(3-azidoprop-1-enyl)-4-methoxyphenyl]acetic acid
CID 169462559
5-[3-(4-ethoxyphenyl)-3-oxoprop-1-enyl]thiophene-3-carboxylic acid
CID 91944337

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid (CID 169461355) is 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid is [N-]=[N+]=NCC=Cc1cc(C(=O)O)cs1.
What is the InChIKey of 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid?
The InChIKey is CLWLVHIGGICSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c9-11-10-3-1-2-7-4-6(5-14-7)8(12)13/h1-2,4-5H,3H2,(H,12,13).
What are the key properties of 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid?
5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 169461355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).