M5E
(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol
Created: | 2019-10-03 |
Last modified: | 2020-03-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 2 |
Bond Count | 29 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol |
Systematic Name (OpenEye OEToolkits) | (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol |
Formula | C11 H15 N O |
Molecular Weight | 177.243 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O[CH]([CH]1CCCN1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(C2CCCN2)O |
Canonical SMILES | CACTVS | 3.385 | O[C@H]([C@@H]1CCCN1)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O |
InChI | InChI | 1.03 | InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11-/m0/s1 |
InChIKey | InChI | 1.03 | YPMHBZQROFTOSU-QWRGUYRKSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 12628020 |