2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one

C15H18N2O3 — CID 121229500

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCNC2)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O3/c18-14-8-15(3-4-16-9-15)10-17(14)11-1-2-12-13(7-11)20-6-5-19-12/h1-2,7,16H,3-6,8-10H2
InChIKeyFKYUQBLTWGGOPE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.17
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 121229500) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID121229500
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCNC2)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O3/c18-14-8-15(3-4-16-9-15)10-17(14)11-1-2-12-13(7-11)20-6-5-19-12/h1-2,7,16H,3-6,8-10H2
InChIKeyFKYUQBLTWGGOPE-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 121229500) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCNC2)CN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is FKYUQBLTWGGOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-8-15(3-4-16-9-15)10-17(14)11-1-2-12-13(7-11)20-6-5-19-12/h1-2,7,16H,3-6,8-10H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 274.32 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 121229500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).