1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone

C11H20N2O2 — CID 56746586

IUPAC1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-7-10(14)13-6-4-11(9-13)3-2-5-12-8-11/h12H,2-9H2,1H3
InChIKeyGMMLDYNLAUGYCO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds2

About 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone

1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone (PubChem CID 56746586) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone
PubChem CID56746586
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-7-10(14)13-6-4-11(9-13)3-2-5-12-8-11/h12H,2-9H2,1H3
InChIKeyGMMLDYNLAUGYCO-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone?
The IUPAC name of 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone (CID 56746586) is 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone?
The canonical SMILES for 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone is COCC(=O)N1CCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone?
The InChIKey is GMMLDYNLAUGYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-7-10(14)13-6-4-11(9-13)3-2-5-12-8-11/h12H,2-9H2,1H3.
What are the key properties of 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone?
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone has a molecular weight of 212.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methoxyethanone is sourced from PubChem (CID 56746586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).