(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

C12H15NO2 — CID 51716217

IUPAC(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
SMILESc1cc2c(c([C@H]3CCCN3)c1)OCCO2
InChIInChI=1S/C12H15NO2/c1-3-9(10-4-2-6-13-10)12-11(5-1)14-7-8-15-12/h1,3,5,10,13H,2,4,6-8H2/t10-/m1/s1
InChIKeyKWCSDLHWGQZNOR-SNVBAGLBSA-N
MW205.26 g/mol
LogP1.88
Rot. Bonds1

About (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine (PubChem CID 51716217) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
PubChem CID51716217
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
SMILESc1cc2c(c([C@H]3CCCN3)c1)OCCO2
InChIInChI=1S/C12H15NO2/c1-3-9(10-4-2-6-13-10)12-11(5-1)14-7-8-15-12/h1,3,5,10,13H,2,4,6-8H2/t10-/m1/s1
InChIKeyKWCSDLHWGQZNOR-SNVBAGLBSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
CID 171195463
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
2-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 117381903
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine
CID 117319500
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
CID 171184161
2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117408174
2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117417339
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
CID 117381261
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine (CID 51716217) is (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The canonical SMILES for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine is c1cc2c(c([C@H]3CCCN3)c1)OCCO2.
What is the InChIKey of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The InChIKey is KWCSDLHWGQZNOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9(10-4-2-6-13-10)12-11(5-1)14-7-8-15-12/h1,3,5,10,13H,2,4,6-8H2/t10-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine has a molecular weight of 205.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine is sourced from PubChem (CID 51716217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).