5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid

C10H13NO3S — CID 57105584

IUPAC5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid
SMILESCC(C)ONC=Cc1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-7(2)14-11-6-5-8-3-4-9(15-8)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChIKeyKPVJINKOTKVXAU-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.35
Rot. Bonds5

About 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid

5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid (PubChem CID 57105584) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid
PubChem CID57105584
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid
SMILESCC(C)ONC=Cc1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-7(2)14-11-6-5-8-3-4-9(15-8)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChIKeyKPVJINKOTKVXAU-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid (CID 57105584) is 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid is CC(C)ONC=Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid?
The InChIKey is KPVJINKOTKVXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7(2)14-11-6-5-8-3-4-9(15-8)10(12)13/h3-7,11H,1-2H3,(H,12,13).
What are the key properties of 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid?
5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(propan-2-yloxyamino)ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 57105584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).