96B

(2R)-2-phenylpyrrolidine

Created:	2015-03-04
Last modified:	2016-04-06

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1 entries where 96B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	6

2D diagram of 96B

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Chemical Component Summary
Name	(2R)-2-phenylpyrrolidine
Systematic Name (OpenEye OEToolkits)	(2R)-2-phenylpyrrolidine
Formula	C₁₀ H₁₃ N
Molecular Weight	147.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1C(CCC1)c2ccccc2
SMILES	CACTVS	3.385	C1CN[CH](C1)c2ccccc2
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C2CCCN2
Canonical SMILES	CACTVS	3.385	C1CN[C@H](C1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)[C@H]2CCCN2
InChI	InChI	1.03	InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2/t10-/m1/s1
InChIKey	InChI	1.03	JUTDHSGANMHVIC-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	1520807

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.