2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid

C9H11NO2S — CID 169473179

IUPAC2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid
SMILESCNCC=Cc1sccc1C(=O)O
InChIInChI=1S/C9H11NO2S/c1-10-5-2-3-8-7(9(11)12)4-6-13-8/h2-4,6,10H,5H2,1H3,(H,11,12)
InChIKeyJBDCFEDNKLPTHG-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid

2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid (PubChem CID 169473179) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid
PubChem CID169473179
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid
SMILESCNCC=Cc1sccc1C(=O)O
InChIInChI=1S/C9H11NO2S/c1-10-5-2-3-8-7(9(11)12)4-6-13-8/h2-4,6,10H,5H2,1H3,(H,11,12)
InChIKeyJBDCFEDNKLPTHG-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid 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

2-(4-amino-4-oxobut-1-enyl)thiophene-3-carboxylic acid
CID 170797469
2-(4-bromobut-1-enyl)thiophene-3-carboxylic acid
CID 170497031
2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169473456
2,4-dihydroxy-5-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474071
2-(tert-butyliminomethyl)thiophene-3-carboxylic acid
CID 70336198
4,5-difluoro-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474117
5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid
CID 169473178
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148
tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate
CID 169466876
2-propylthiophene-3-carboxylic acid
CID 131595068
3-(methylcarbamoyl)thiophene-2-carboxylic acid
CID 129267233
methyl 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]thiophene-3-carboxylate
CID 134946572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid (CID 169473179) is 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid is CNCC=Cc1sccc1C(=O)O.
What is the InChIKey of 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid?
The InChIKey is JBDCFEDNKLPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10-5-2-3-8-7(9(11)12)4-6-13-8/h2-4,6,10H,5H2,1H3,(H,11,12).
What are the key properties of 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid?
2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 169473179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).