(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride

C11H14ClNO2 — CID 66519216

IUPAC(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
SMILESCl.c1cc2c(cc1[C@H]1CCCN1)OCO2
InChIInChI=1S/C11H13NO2.ClH/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10;/h3-4,6,9,12H,1-2,5,7H2;1H/t9-;/m1./s1
InChIKeyRRCIKUPKYLHKQJ-SBSPUUFOSA-N
MW227.69 g/mol
LogP2.26
Rot. Bonds1

About (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride

(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride (PubChem CID 66519216) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
PubChem CID66519216
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
SMILESCl.c1cc2c(cc1[C@H]1CCCN1)OCO2
InChIInChI=1S/C11H13NO2.ClH/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10;/h3-4,6,9,12H,1-2,5,7H2;1H/t9-;/m1./s1
InChIKeyRRCIKUPKYLHKQJ-SBSPUUFOSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771
(2R)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 171196163
2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 169449503
(2S)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 66519154
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
CID 83918973
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
CID 117436350
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
4-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541943
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride (CID 66519216) is (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride is Cl.c1cc2c(cc1[C@H]1CCCN1)OCO2.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride?
The InChIKey is RRCIKUPKYLHKQJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10;/h3-4,6,9,12H,1-2,5,7H2;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride?
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 66519216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).