4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C12H22N2O2 — CID 129069925

IUPAC4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCNCC2)OC(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-3-14-9-12(16-10(2)11(14)15)5-4-7-13-8-6-12/h10,13H,3-9H2,1-2H3
InChIKeyAYKCSZCWMXXHFC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds1

About 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 129069925) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID129069925
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCNCC2)OC(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-3-14-9-12(16-10(2)11(14)15)5-4-7-13-8-6-12/h10,13H,3-9H2,1-2H3
InChIKeyAYKCSZCWMXXHFC-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 129069925) is 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1CC2(CCCNCC2)OC(C)C1=O.
What is the InChIKey of 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is AYKCSZCWMXXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-14-9-12(16-10(2)11(14)15)5-4-7-13-8-6-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 129069925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).