1-methyl-1-azaspiro[4.6]undecan-4-one

C11H19NO — CID 18468802

IUPAC1-methyl-1-azaspiro[4.6]undecan-4-one
SMILESCN1CCC(=O)C12CCCCCC2
InChIInChI=1S/C11H19NO/c1-12-9-6-10(13)11(12)7-4-2-3-5-8-11/h2-9H2,1H3
InChIKeyODTJJZZAGUGULD-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.98
Rot. Bonds

About 1-methyl-1-azaspiro[4.6]undecan-4-one

1-methyl-1-azaspiro[4.6]undecan-4-one (PubChem CID 18468802) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-1-azaspiro[4.6]undecan-4-one.

Molecular Properties

Compound Name1-methyl-1-azaspiro[4.6]undecan-4-one
PubChem CID18468802
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-methyl-1-azaspiro[4.6]undecan-4-one
SMILESCN1CCC(=O)C12CCCCCC2
InChIInChI=1S/C11H19NO/c1-12-9-6-10(13)11(12)7-4-2-3-5-8-11/h2-9H2,1H3
InChIKeyODTJJZZAGUGULD-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-azaspiro[4.6]undecan-4-one?
The IUPAC name of 1-methyl-1-azaspiro[4.6]undecan-4-one (CID 18468802) is 1-methyl-1-azaspiro[4.6]undecan-4-one.
What is the SMILES notation for 1-methyl-1-azaspiro[4.6]undecan-4-one?
The canonical SMILES for 1-methyl-1-azaspiro[4.6]undecan-4-one is CN1CCC(=O)C12CCCCCC2.
What is the InChIKey of 1-methyl-1-azaspiro[4.6]undecan-4-one?
The InChIKey is ODTJJZZAGUGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-9-6-10(13)11(12)7-4-2-3-5-8-11/h2-9H2,1H3.
What are the key properties of 1-methyl-1-azaspiro[4.6]undecan-4-one?
1-methyl-1-azaspiro[4.6]undecan-4-one has a molecular weight of 181.28 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-azaspiro[4.6]undecan-4-one is sourced from PubChem (CID 18468802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).