1H-Pyrrole-2-carboxaldehyde, 5,5'-methylenebis[4-ethyl-3-methyl-
Basic information
- CAS
967-68-0- Standard SMILES
CCc1c(Cc2[nH]c(C=O)c(C)c2CC)[nH]c(C=O)c1C- InChIKey
OGOATYJXXAAJJJ-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.16812795
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxaldehyde, 5,5'-methylenebis[4-ethyl-3-methyl-
- IUPAC
- 4-ethyl-5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carbaldehyde
Names & synonyms
NSC6013761H-Pyrrole-2-carboxaldehyde, 5,5'-methylenebis[4-ethyl-3-methyl-967-68-0SCHEMBL13228907DTXSID20326557NSC-6013765,5'-Methylenebis(4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde)
Database identifiers
- CAS
967-68-0- PubChem CID
- 353395
- DTXSID
DTXSID20326557- Nikkaji
- J828.166A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
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Compound notes
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