isopropyl 5-(N-methyl-2-pyrroyl)-1,2-dihydro-6-methyl-3H-pyrrolo[1,2-a]-pyrrole-1-carboxylate

HCID 86735802

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

Related reactions

3 records

Compound notes

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