Methyl 4-acetyl-2,3-dihydro-1H-pyrrole-1-carboxylate
Basic information
- CAS
82483-64-5- Standard SMILES
COC(=O)N1C=C(C(C)=O)CC1- InChIKey
FXPMPQWGQXJSMQ-UHFFFAOYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
Names & identifiers
- Preferred name
- Methyl 4-acetyl-2,3-dihydro-1H-pyrrole-1-carboxylate
- IUPAC
- methyl 4-acetyl-2,3-dihydropyrrole-1-carboxylate
- English name
- 1H-Pyrrole-1-carboxylic acid, 4-acetyl-2,3-dihydro-, methyl ester (9CI)
- Molecular formula
- C8H11NO3
- Molecular weight
- 169.17784
Names & synonyms
82483-64-5Methyl 4-acetyl-2,3-dihydro-1H-pyrrole-1-carboxylate1H-Pyrrole-1-carboxylic acid, 4-acetyl-2,3-dihydro-, methyl ester (9CI)
Database identifiers
- CAS
82483-64-5
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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