2-(1,3-benzodioxol-5-yl)-3-methylmorpholine

C12H15NO3 — CID 82286499

IUPAC2-(1,3-benzodioxol-5-yl)-3-methylmorpholine
SMILESCC1NCCOC1c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c1-8-12(14-5-4-13-8)9-2-3-10-11(6-9)16-7-15-10/h2-3,6,8,12-13H,4-5,7H2,1H3
InChIKeyJMABLCPXWZOLCW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.46
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine

2-(1,3-benzodioxol-5-yl)-3-methylmorpholine (PubChem CID 82286499) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-methylmorpholine
PubChem CID82286499
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-methylmorpholine
SMILESCC1NCCOC1c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c1-8-12(14-5-4-13-8)9-2-3-10-11(6-9)16-7-15-10/h2-3,6,8,12-13H,4-5,7H2,1H3
InChIKeyJMABLCPXWZOLCW-UHFFFAOYSA-N
XLogP1.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine (CID 82286499) is 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine is CC1NCCOC1c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine?
The InChIKey is JMABLCPXWZOLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-12(14-5-4-13-8)9-2-3-10-11(6-9)16-7-15-10/h2-3,6,8,12-13H,4-5,7H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine?
2-(1,3-benzodioxol-5-yl)-3-methylmorpholine has a molecular weight of 221.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-methylmorpholine is sourced from PubChem (CID 82286499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).