4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C11H20N2O2 — CID 20522023

IUPAC4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1C(=O)COC2(CCNCC2)C1C
InChIInChI=1S/C11H20N2O2/c1-3-13-9(2)11(15-8-10(13)14)4-6-12-7-5-11/h9,12H,3-8H2,1-2H3
InChIKeyUGQYCNLUMUSMGD-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds1

About 4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20522023) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20522023
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1C(=O)COC2(CCNCC2)C1C
InChIInChI=1S/C11H20N2O2/c1-3-13-9(2)11(15-8-10(13)14)4-6-12-7-5-11/h9,12H,3-8H2,1-2H3
InChIKeyUGQYCNLUMUSMGD-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-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20522023) is 4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1C(=O)COC2(CCNCC2)C1C.
What is the InChIKey of 4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UGQYCNLUMUSMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-13-9(2)11(15-8-10(13)14)4-6-12-7-5-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-ethyl-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-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-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20522023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).