Basic information
- CAS
94383-16-1- Standard SMILES
CCOC(=O)c1c(Cc2[nH]c(C)c(C)c2C(=O)OCC)[nH]c(C)c1C- InChIKey
ANCMIPMEFNFXRO-UHFFFAOYSA-N- Molecular formula
- C19H26N2O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.18925731
Names & identifiers
- Preferred name
- Diethyl 2,2'-methylenebis(4,5-dimethyl-1H-pyrrole-3-carboxylate)
- IUPAC
- ethyl 2-[(3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrol-2-yl)methyl]-4,5-dimethyl-1H-pyrrole-3-carboxylate
Names & synonyms
94383-16-1Diethyl 2,2'-methylenebis(4,5-dimethyl-1H-pyrrole-3-carboxylate)NSC23931DTXSID50282036NSC-23931
Database identifiers
- CAS
94383-16-1- PubChem CID
- 229874
- DTXSID
DTXSID50282036
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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