methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate

C9H11NO2S — CID 169464730

IUPACmethyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate
SMILESCOC(=O)c1csc(C=CCN)c1
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-5-8(13-6-7)3-2-4-10/h2-3,5-6H,4,10H2,1H3
InChIKeyGFLJMDSNURIJFF-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.51
Rot. Bonds3

About methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate

methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate (PubChem CID 169464730) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate
PubChem CID169464730
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate
SMILESCOC(=O)c1csc(C=CCN)c1
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-5-8(13-6-7)3-2-4-10/h2-3,5-6H,4,10H2,1H3
InChIKeyGFLJMDSNURIJFF-UHFFFAOYSA-N
XLogP1.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-ethoxy-3-oxoprop-1-enyl)thiophene-3-carboxylate
CID 169481301
methyl 5-(3-aminoprop-1-enyl)pyridine-3-carboxylate
CID 169463930
methyl 5-(aminooxymethyl)thiophene-3-carboxylate
CID 59478195
methyl 5-(iodomethyl)thiophene-3-carboxylate
CID 163369984
methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate
CID 175475240
methyl 5-[(E)-3-aminoprop-1-enyl]-2,4-dihydroxybenzoate
CID 117319282
methyl 5-[(E)-3-aminoprop-1-enyl]-2,4-dimethylbenzoate
CID 117312655
methyl 4-(3-aminoprop-1-enyl)-2-chlorobenzoate
CID 169464022
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
sodium 4-methoxycarbonylthiophene-2-sulfinate
CID 165449235
methyl 5-[(E)-3-aminoprop-1-enyl]-3-fluoro-2-methoxybenzoate
CID 117350271
methyl 5-piperazin-1-ylthiophene-3-carboxylate
CID 131313272

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate?
The IUPAC name of methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate (CID 169464730) is methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate is COC(=O)c1csc(C=CCN)c1.
What is the InChIKey of methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate?
The InChIKey is GFLJMDSNURIJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9(11)7-5-8(13-6-7)3-2-4-10/h2-3,5-6H,4,10H2,1H3.
What are the key properties of methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate?
methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate is sourced from PubChem (CID 169464730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).