Basic information
- Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N- InChIKey
XYRRRTDDQUCNQM-UHFFFAOYSA-N- Molecular formula
- C12H15NO2S
- Average molar mass
- 237.32 g/mol
Names & identifiers
- Preferred name
- 5-Cyclohex-1-enyl-3-aminothiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-amino-5-(cyclohexen-1-yl)thiophene-2-carboxylate
Names & synonyms
SCHEMBL2104914XYRRRTDDQUCNQM-UHFFFAOYSA-Nmethyl 3-amino-5-(cyclohex-1-en-1-yl)thiophene-2-carboxylate3-Amino-5-cyclohex-1-enyl-thiophene-2-carboxylic acid methyl ester5-cyclohex-1-enyl-3-amino-thiophene-2-carboxylic acid methyl ester5-cyclohex-1-enyl-3-aminothiophene-2-carboxylic acid methyl ester914781-00-3
Database identifiers
- PubChem CID
- 57795401
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
13 records
Compound notes
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