Basic information
- Standard SMILES
Cc1cc2n(c1C(=O)c1cccn1C)CCC2C(=O)OC(C)C- InChIKey
JXEXPGZXUIDUHB-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.16304257
Names & identifiers
- Preferred name
- isopropyl 5-(N-methyl-2-pyrroyl)-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]-pyrrole-1-carboxylate
- IUPAC
- propan-2-yl 6-methyl-5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
Names & synonyms
JXEXPGZXUIDUHB-UHFFFAOYSA-Nisopropyl 5-(N-methyl-2-pyrroyl)-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]-pyrrole-1-carboxylateisopropyl 5-(N-methyl-2-pyrroyl)-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]pyrrole-1-carboxylate
Database identifiers
- PubChem CID
- 86735802
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
3 records
Compound notes
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