2-Cyclohexene-1-carboxylicacid,4-(acetylamino)-,methylester,trans-(9CI)
Basic information
- CAS
157930-18-2- Standard SMILES
COC(=O)[C@H]1C=C[C@H](NC(C)=O)CC1- InChIKey
OANXMLIELYUPMA-IUCAKERBSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 2-Cyclohexene-1-carboxylicacid,4-(acetylamino)-,methylester,trans-(9CI)
- IUPAC
- methyl (1R,4R)-4-acetamidocyclohex-2-ene-1-carboxylate
- English name
- 2-Cyclohexene-1-carboxylicacid,4-(acetylamino)-,methylester,trans-(9CI)
- Molecular formula
- C10H15NO3
- Molecular weight
- 197.23
Names & synonyms
157930-18-22-Cyclohexene-1-carboxylicacid,4-(acetylamino)-,methylester,trans-(9CI)METHYL (1R,4R)-4-ACETAMIDOCYCLOHEX-2-ENE-1-CARBOXYLATE
Database identifiers
- CAS
157930-18-2- PubChem CID
- 45089434
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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