3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C13H14Cl2N2O2 — CID 66545182

IUPAC3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c14-9-1-2-11(10(15)7-9)17-8-13(19-12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2
InChIKeyFEVORZJCVGQUKH-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.07
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66545182) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66545182
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c14-9-1-2-11(10(15)7-9)17-8-13(19-12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2
InChIKeyFEVORZJCVGQUKH-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66545182) is 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FEVORZJCVGQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-9-1-2-11(10(15)7-9)17-8-13(19-12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2.
What are the key properties of 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 301.17 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66545182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).