8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one

C13H22N2O3 — CID 131663239

IUPAC8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCOCC(=O)N1CCCC2(CCCC(=O)N2C)C1
InChIInChI=1S/C13H22N2O3/c1-14-11(16)5-3-6-13(14)7-4-8-15(10-13)12(17)9-18-2/h3-10H2,1-2H3
InChIKeyMROZUGBAESGRKB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.64
Rot. Bonds2

About 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one

8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 131663239) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID131663239
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESCOCC(=O)N1CCCC2(CCCC(=O)N2C)C1
InChIInChI=1S/C13H22N2O3/c1-14-11(16)5-3-6-13(14)7-4-8-15(10-13)12(17)9-18-2/h3-10H2,1-2H3
InChIKeyMROZUGBAESGRKB-UHFFFAOYSA-N
XLogP0.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one (CID 131663239) is 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one is COCC(=O)N1CCCC2(CCCC(=O)N2C)C1.
What is the InChIKey of 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is MROZUGBAESGRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-11(16)5-3-6-13(14)7-4-8-15(10-13)12(17)9-18-2/h3-10H2,1-2H3.
What are the key properties of 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one?
8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 254.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 131663239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).