2-(1,3-benzodioxol-2-yl)pyrrolidine

C11H13NO2 — CID 144586760

IUPAC2-(1,3-benzodioxol-2-yl)pyrrolidine
SMILESc1ccc2c(c1)OC(C1CCCN1)O2
InChIInChI=1S/C11H13NO2/c1-2-6-10-9(5-1)13-11(14-10)8-4-3-7-12-8/h1-2,5-6,8,11-12H,3-4,7H2
InChIKeyAPUUZIODEWLMFA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.54
Rot. Bonds1

About 2-(1,3-benzodioxol-2-yl)pyrrolidine

2-(1,3-benzodioxol-2-yl)pyrrolidine (PubChem CID 144586760) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-2-yl)pyrrolidine
PubChem CID144586760
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(1,3-benzodioxol-2-yl)pyrrolidine
SMILESc1ccc2c(c1)OC(C1CCCN1)O2
InChIInChI=1S/C11H13NO2/c1-2-6-10-9(5-1)13-11(14-10)8-4-3-7-12-8/h1-2,5-6,8,11-12H,3-4,7H2
InChIKeyAPUUZIODEWLMFA-UHFFFAOYSA-N
XLogP1.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-2-yl)piperidine
CID 115062724
(2S)-2-pyrrolidin-2-yl-2,3-dihydrofuro[3,2-b]pyridine
CID 57257469
2-(2,3-dihydro-1-benzofuran-2-yl)piperidine
CID 54034431
2-(6-bromo-4H-1,3-benzodioxin-2-yl)piperidine
CID 115062678
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine
CID 66364587
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2S)-2-[(1S)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]pyrrolidine
CID 122456694
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
2-pyrrolidin-2-ylpiperidine
CID 14810994
(4aS,7aS)-6-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682874

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-2-yl)pyrrolidine?
The IUPAC name of 2-(1,3-benzodioxol-2-yl)pyrrolidine (CID 144586760) is 2-(1,3-benzodioxol-2-yl)pyrrolidine.
What is the SMILES notation for 2-(1,3-benzodioxol-2-yl)pyrrolidine?
The canonical SMILES for 2-(1,3-benzodioxol-2-yl)pyrrolidine is c1ccc2c(c1)OC(C1CCCN1)O2.
What is the InChIKey of 2-(1,3-benzodioxol-2-yl)pyrrolidine?
The InChIKey is APUUZIODEWLMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-6-10-9(5-1)13-11(14-10)8-4-3-7-12-8/h1-2,5-6,8,11-12H,3-4,7H2.
What are the key properties of 2-(1,3-benzodioxol-2-yl)pyrrolidine?
2-(1,3-benzodioxol-2-yl)pyrrolidine has a molecular weight of 191.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-2-yl)pyrrolidine is sourced from PubChem (CID 144586760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).