(1-Amino-1H-pyrrol-2-yl)(cyclopropyl)methanone
Basic information
- CAS
163350-69-4- Standard SMILES
Nn1cccc1C(=O)C1CC1- InChIKey
FFBCGNVUBUBUCU-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
Names & identifiers
- Preferred name
- (1-Amino-1H-pyrrol-2-yl)(cyclopropyl)methanone
- IUPAC
- (1-aminopyrrol-2-yl)-cyclopropylmethanone
- English name
- Methanone, (1-amino-1H-pyrrol-2-yl)cyclopropyl- (9CI)
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
163350-69-4(1-Amino-1H-pyrrol-2-yl)(cyclopropyl)methanoneMethanone, (1-amino-1H-pyrrol-2-yl)cyclopropyl- (9CI)(1-aminopyrrol-2-yl)-cyclopropylmethanoneSCHEMBL8543847Methanone, (1-amino-1H-pyrrol-2-yl)cyclopropyl-
Database identifiers
- CAS
163350-69-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 323.5 · 323.5±34.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -3.54 · -3.54±0.70(Predicted)
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Compound notes
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