W2M
(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
Created: | 2020-09-24 |
Last modified: | 2021-01-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 1 |
Bond Count | 31 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
Systematic Name (OpenEye OEToolkits) | (3~{R})-spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one |
Formula | C12 H14 N2 O |
Molecular Weight | 202.252 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N3C2(Cc1c(cccc1)NC2=O)CCC3 |
SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2C[C]13CCCN3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC3(CCCN3)C(=O)N2 |
Canonical SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2C[C@]13CCCN3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | ABOZUPQQWCLVDB-GFCCVEGCSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155294423 |