3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine

C15H19NO2 — CID 117365379

IUPAC3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine
SMILESc1cc2c(cc1C1CCNC1)OC1(CCCC1)O2
InChIInChI=1S/C15H19NO2/c1-2-7-15(6-1)17-13-4-3-11(9-14(13)18-15)12-5-8-16-10-12/h3-4,9,12,16H,1-2,5-8,10H2
InChIKeyCJKPEXRFZAPNDO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.81
Rot. Bonds1

About 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine

3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine (PubChem CID 117365379) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine.

Molecular Properties

Compound Name3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine
PubChem CID117365379
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine
SMILESc1cc2c(cc1C1CCNC1)OC1(CCCC1)O2
InChIInChI=1S/C15H19NO2/c1-2-7-15(6-1)17-13-4-3-11(9-14(13)18-15)12-5-8-16-10-12/h3-4,9,12,16H,1-2,5-8,10H2
InChIKeyCJKPEXRFZAPNDO-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine?
The IUPAC name of 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine (CID 117365379) is 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine.
What is the SMILES notation for 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine?
The canonical SMILES for 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine is c1cc2c(cc1C1CCNC1)OC1(CCCC1)O2.
What is the InChIKey of 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine?
The InChIKey is CJKPEXRFZAPNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-7-15(6-1)17-13-4-3-11(9-14(13)18-15)12-5-8-16-10-12/h3-4,9,12,16H,1-2,5-8,10H2.
What are the key properties of 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine?
3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine has a molecular weight of 245.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine is sourced from PubChem (CID 117365379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).