3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine

C14H19NO2 — CID 83911767

IUPAC3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine
SMILESCCC(c1cccc2c1OCO2)C1CCNC1
InChIInChI=1S/C14H19NO2/c1-2-11(10-6-7-15-8-10)12-4-3-5-13-14(12)17-9-16-13/h3-5,10-11,15H,2,6-9H2,1H3
InChIKeyMIXCIXXBWADWCA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds3

About 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine

3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine (PubChem CID 83911767) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine
PubChem CID83911767
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine
SMILESCCC(c1cccc2c1OCO2)C1CCNC1
InChIInChI=1S/C14H19NO2/c1-2-11(10-6-7-15-8-10)12-4-3-5-13-14(12)17-9-16-13/h3-5,10-11,15H,2,6-9H2,1H3
InChIKeyMIXCIXXBWADWCA-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine?
The IUPAC name of 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine (CID 83911767) is 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine.
What is the SMILES notation for 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine?
The canonical SMILES for 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine is CCC(c1cccc2c1OCO2)C1CCNC1.
What is the InChIKey of 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine?
The InChIKey is MIXCIXXBWADWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11(10-6-7-15-8-10)12-4-3-5-13-14(12)17-9-16-13/h3-5,10-11,15H,2,6-9H2,1H3.
What are the key properties of 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine?
3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine has a molecular weight of 233.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine is sourced from PubChem (CID 83911767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).