46O

(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine

Created:	2015-02-11
Last modified:	2016-02-17

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1 entries where 46O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

2D diagram of 46O

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Chemical Component Summary
Name	(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
Systematic Name (OpenEye OEToolkits)	(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
Formula	C₁₂ H₁₅ N O₂
Molecular Weight	205.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O1c2c(OCC1)cc(cc2)C3NCCC3
SMILES	CACTVS	3.385	C1CN[CH](C1)c2ccc3OCCOc3c2
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1C3CCCN3)OCCO2
Canonical SMILES	CACTVS	3.385	C1CN[C@H](C1)c2ccc3OCCOc3c2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1[C@H]3CCCN3)OCCO2
InChI	InChI	1.03	InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/t10-/m1/s1
InChIKey	InChI	1.03	LSNPFVDQLTUQCE-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	2060848

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