3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine

C13H17NO2 — CID 84684759

IUPAC3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
SMILESCc1c(C2CCNC2)ccc2c1OCCO2
InChIInChI=1S/C13H17NO2/c1-9-11(10-4-5-14-8-10)2-3-12-13(9)16-7-6-15-12/h2-3,10,14H,4-8H2,1H3
InChIKeyOFPJCYYDFGBZRP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.84
Rot. Bonds1

About 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine

3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine (PubChem CID 84684759) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine.

Molecular Properties

Compound Name3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
PubChem CID84684759
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
SMILESCc1c(C2CCNC2)ccc2c1OCCO2
InChIInChI=1S/C13H17NO2/c1-9-11(10-4-5-14-8-10)2-3-12-13(9)16-7-6-15-12/h2-3,10,14H,4-8H2,1H3
InChIKeyOFPJCYYDFGBZRP-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 84696872
3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 84684757
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117346620
4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117338822
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117418008
3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117423040
5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117315855
3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 82602979
3-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117381283
3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117452508
5-bromo-7-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117483149
3-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117456993

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine?
The IUPAC name of 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine (CID 84684759) is 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine.
What is the SMILES notation for 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine?
The canonical SMILES for 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine is Cc1c(C2CCNC2)ccc2c1OCCO2.
What is the InChIKey of 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine?
The InChIKey is OFPJCYYDFGBZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-11(10-4-5-14-8-10)2-3-12-13(9)16-7-6-15-12/h2-3,10,14H,4-8H2,1H3.
What are the key properties of 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine?
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine has a molecular weight of 219.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine is sourced from PubChem (CID 84684759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).