2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine

C15H19NO3 — CID 63297544

IUPAC2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
SMILESc1cc2c(cc1C1CNCC(C3CC3)O1)OCCO2
InChIInChI=1S/C15H19NO3/c1-2-10(1)14-8-16-9-15(19-14)11-3-4-12-13(7-11)18-6-5-17-12/h3-4,7,10,14-16H,1-2,5-6,8-9H2
InChIKeyGPKNXBQHRLRXIS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.90
Rot. Bonds2

About 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine

2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine (PubChem CID 63297544) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
PubChem CID63297544
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
SMILESc1cc2c(cc1C1CNCC(C3CC3)O1)OCCO2
InChIInChI=1S/C15H19NO3/c1-2-10(1)14-8-16-9-15(19-14)11-3-4-12-13(7-11)18-6-5-17-12/h3-4,7,10,14-16H,1-2,5-6,8-9H2
InChIKeyGPKNXBQHRLRXIS-UHFFFAOYSA-N
XLogP1.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine?
The IUPAC name of 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine (CID 63297544) is 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine is c1cc2c(cc1C1CNCC(C3CC3)O1)OCCO2.
What is the InChIKey of 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine?
The InChIKey is GPKNXBQHRLRXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-10(1)14-8-16-9-15(19-14)11-3-4-12-13(7-11)18-6-5-17-12/h3-4,7,10,14-16H,1-2,5-6,8-9H2.
What are the key properties of 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine?
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine has a molecular weight of 261.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine is sourced from PubChem (CID 63297544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).