1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

C11H20N2O2 — CID 20622548

IUPAC1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C)CCO2
InChIInChI=1S/C11H20N2O2/c1-10(14)13-5-3-11(4-6-13)9-12(2)7-8-15-11/h3-9H2,1-2H3
InChIKeyNXYPQLGKFGMHJO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds

About 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 20622548) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID20622548
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C)CCO2
InChIInChI=1S/C11H20N2O2/c1-10(14)13-5-3-11(4-6-13)9-12(2)7-8-15-11/h3-9H2,1-2H3
InChIKeyNXYPQLGKFGMHJO-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 20622548) is 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is CC(=O)N1CCC2(CC1)CN(C)CCO2.
What is the InChIKey of 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is NXYPQLGKFGMHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(14)13-5-3-11(4-6-13)9-12(2)7-8-15-11/h3-9H2,1-2H3.
What are the key properties of 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 20622548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).