isopropyl 3-(N-methyl-2-pyrroyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]pyridine-8-carboxylate

HCID 70534455
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Basic information

Standard SMILES
CC(C)OC(=O)C1CCCn2c(C(=O)c3cccn3C)ccc21
InChIKey
AWQVTGLEFBVDHO-UHFFFAOYSA-N
Molecular formula
C18H22N2O3
Average molar mass
314.4 g/mol
Monoisotopic mass
314.16304257

Names & identifiers

Preferred name
isopropyl 3-(N-methyl-2-pyrroyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]pyridine-8-carboxylate
IUPAC
propan-2-yl 3-(1-methylpyrrole-2-carbonyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate

Names & synonyms

SCHEMBL11195412AWQVTGLEFBVDHO-UHFFFAOYSA-Nisopropyl 3-(N-methyl-2-pyrroyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]pyridine-8-carboxylate

Database identifiers

PubChem CID
70534455

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

4 records
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Compound notes

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