4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benz-aldehyde
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Basic information
- Standard SMILES
O=Cc1ccc(C(=O)N2CC=CC2)cc1- InChIKey
LXXRSFUXYOQAKA-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benz-aldehyde
- IUPAC
- 4-(2,5-dihydropyrrole-1-carbonyl)benzaldehyde
Names & synonyms
4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benz-aldehydeSCHEMBL6775863LXXRSFUXYOQAKA-UHFFFAOYSA-N4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)-benzaldehyde4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benzaldehyde4-(2,5-dihydro-1h-pyrrol-1-ylcarbonyl)benzo-aldehyde
Database identifiers
- PubChem CID
- 22632597
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
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Related reactions
16 records
Compound notes
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