5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid

C11H15NO3S — CID 56616066

IUPAC5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid
SMILESCCCCONC=Cc1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO3S/c1-2-3-8-15-12-7-6-9-4-5-10(16-9)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChIKeyPZYKVMGVTDTMCC-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.74
Rot. Bonds7

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

5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid (PubChem CID 56616066) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid
PubChem CID56616066
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid
SMILESCCCCONC=Cc1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO3S/c1-2-3-8-15-12-7-6-9-4-5-10(16-9)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChIKeyPZYKVMGVTDTMCC-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid (CID 56616066) is 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid is CCCCONC=Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid?
The InChIKey is PZYKVMGVTDTMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-3-8-15-12-7-6-9-4-5-10(16-9)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14).
What are the key properties of 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid?
5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(butoxyamino)ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 56616066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).