4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C11H20N2O2 — CID 115067508

IUPAC4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCNCC2)OCC1=O
InChIInChI=1S/C11H20N2O2/c1-2-13-9-11(15-8-10(13)14)4-3-6-12-7-5-11/h12H,2-9H2,1H3
InChIKeyLKLHJZGJYMOODJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds1

About 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 115067508) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID115067508
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCNCC2)OCC1=O
InChIInChI=1S/C11H20N2O2/c1-2-13-9-11(15-8-10(13)14)4-3-6-12-7-5-11/h12H,2-9H2,1H3
InChIKeyLKLHJZGJYMOODJ-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 115067508) is 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1CC2(CCCNCC2)OCC1=O.
What is the InChIKey of 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is LKLHJZGJYMOODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-13-9-11(15-8-10(13)14)4-3-6-12-7-5-11/h12H,2-9H2,1H3.
What are the key properties of 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 212.29 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 115067508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).