1,3,3a,4,6,6a-Hexahydrofuro[3,4-c]pyrrol-5-yl(phenyl)methanone

HCID 41858

Notes Reactions

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Basic information

Standard SMILES: O=C(c1ccccc1)N1CC2COCC2C1
InChIKey: ZSYULWHBPBAOKV-UHFFFAOYSA-N
Molecular formula: C13H15NO2
Average molar mass: 217.26 g/mol

Names & identifiers

Preferred name: 1,3,3a,4,6,6a-Hexahydrofuro[3,4-c]pyrrol-5-yl(phenyl)methanone
IUPAC: 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(phenyl)methanone

Names & synonyms

1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(phenyl)methanoneICI-US 457Octazamide (USAN/INN)SCHEMBL194551orb1707880CHEMBL2106524ZSYULWHBPBAOKV-UHFFFAOYSA-NHY-U00101MFCD00864283AKOS040711893CS-7137DA-76378

Show more names

MS-231935-benzoyl-hexahydro-1H-furo(3,4-c)pyrroleNS00127339D05221G12671T13801Phenyl(tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl)methanone

Database identifiers

PubChem CID: 41858
ChEMBL: CHEMBL2106524
Nikkaji: J12.614D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 261

Related reactions

2 records

New reaction record

HRID 166252As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1283609As productuspto-grants-1976_08

Compound notes

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