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- ChemComp-OJD: (4R)-4-(2-phenylethyl)pyrrolidin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: OJD
NameName: (4R)-4-(2-phenylethyl)pyrrolidin-2-one

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Chemical information

Composition
Formula: C12H15NO / Number of atoms: 29 / Formula weight: 189.254 / Formal charge: 0
Others

5afn

Type: non-polymer / PDB classification: HETAIN / Three letter code: OJD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AFN
History
Create componentJan 22, 2015
Initial releaseMay 6, 2015
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C2NCC(CCc1ccccc1)C2
CACTVS 3.385O=C1C[CH](CCc2ccccc2)CN1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC2CC(=O)NC2

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SMILES CANONICAL

CACTVS 3.385O=C1C[C@@H](CCc2ccccc2)CN1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC[C@@H]2CC(=O)NC2

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InChI

InChI 1.03InChI=1S/C12H15NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/t11-/m1/s1

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InChIKey

InChI 1.03HSOKCKRDVRKPGT-LLVKDONJSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(4R)-4-(2-phenylethyl)pyrrolidin-2-one
OpenEye OEToolkits 1.7.6(4R)-4-(2-phenylethyl)pyrrolidin-2-one

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PDB entries

Showing all 1 items

PDB-5afn:
alpha7-AChBP in complex with lobeline and fragment 5

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