methyl 5-(N-hydroxy-C-methylcarbonimidoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Basic information
- CAS
6297-15-0- Standard SMILES
COC(=O)c1c(C)[nH]c(C(C)=NO)c1C- InChIKey
GMBSPOXCVONSMA-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.10044231
Names & identifiers
- Preferred name
- methyl 5-(N-hydroxy-C-methylcarbonimidoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
- IUPAC
- methyl 5-(N-hydroxy-C-methylcarbonimidoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Database identifiers
- CAS
6297-15-0- PubChem CID
- 226790
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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