5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid

C9H11NO2S — CID 169473178

IUPAC5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid
SMILESCNCC=Cc1ccc(C(=O)O)s1
InChIInChI=1S/C9H11NO2S/c1-10-6-2-3-7-4-5-8(13-7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyKSHMDHHRZYMGOG-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.68
Rot. Bonds4

About 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid

5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid (PubChem CID 169473178) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid
PubChem CID169473178
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid
SMILESCNCC=Cc1ccc(C(=O)O)s1
InChIInChI=1S/C9H11NO2S/c1-10-6-2-3-7-4-5-8(13-7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyKSHMDHHRZYMGOG-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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid (CID 169473178) is 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid is CNCC=Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid?
The InChIKey is KSHMDHHRZYMGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10-6-2-3-7-4-5-8(13-7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid?
5-[3-(methylamino)prop-1-enyl]thiophene-2-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 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 169473178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).