Shihunidine

AlkaPlorer ID: AK313488

Synonym: 1'-Methylspiro[1H-isoindole-1,2'-pyrrolidin]-3(2H)-one 

IUPAC Name: 1'-methylspiro[2H-isoindole-3,2'-pyrrolidine]-1-one

Structure

SMILES: CN1CCCC12N=C(O)C1=CC=CC=C12

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InChI: InChI=1S/C12H14N2O/c1-14-8-4-7-12(14)10-6-3-2-5-9(10)11(15)13-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,15)

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InChIKey: LTUZVVOPXHMYOH-UHFFFAOYSA-N

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Reference

PubChem CID: 195809

CAS: 135626-84-5

NPASS: NPC30818

COCONUT: CNP0223889.2

Properties Information

Molecule Weight: 202.257

TPSA: 35.83

MolLogP: 1.8832

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information