1-Isopropyl-1H-pyrrole-2,4-dicarbaldehyde
Basic information
- CAS
259816-23-4- Standard SMILES
CC(C)n1cc(C=O)cc1C=O- InChIKey
QPGPNKABDMLOLV-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 1-Isopropyl-1H-pyrrole-2,4-dicarbaldehyde
- IUPAC
- 1-propan-2-ylpyrrole-2,4-dicarbaldehyde
- English name
- 1H-Pyrrole-2,4-dicarboxaldehyde,1-(1-methylethyl)-(9CI)
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
1-Isopropyl-1H-pyrrole-2,4-dicarbaldehyde259816-23-41H-Pyrrole-2,4-dicarboxaldehyde, 1-(1-methylethyl)-1H-Pyrrole-2,4-dicarboxaldehyde,1-(1-methylethyl)-(9CI)
Database identifiers
- CAS
259816-23-4- PubChem CID
- 45096254
- Nikkaji
- J1.301.716F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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