1,8-dimethyl-2-azaspiro[4.6]undecan-3-one

C12H21NO — CID 66107618

IUPAC1,8-dimethyl-2-azaspiro[4.6]undecan-3-one
SMILESCC1CCCC2(CC1)CC(=O)NC2C
InChIInChI=1S/C12H21NO/c1-9-4-3-6-12(7-5-9)8-11(14)13-10(12)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyJSKDJMPKWZYCED-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds

About 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one

1,8-dimethyl-2-azaspiro[4.6]undecan-3-one (PubChem CID 66107618) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name1,8-dimethyl-2-azaspiro[4.6]undecan-3-one
PubChem CID66107618
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1,8-dimethyl-2-azaspiro[4.6]undecan-3-one
SMILESCC1CCCC2(CC1)CC(=O)NC2C
InChIInChI=1S/C12H21NO/c1-9-4-3-6-12(7-5-9)8-11(14)13-10(12)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyJSKDJMPKWZYCED-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-azaspiro[4.5]decan-3-one
CID 66108261
1-methyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one
CID 66107623
7-methyl-1-azaspiro[3.6]decan-2-one
CID 65082939
1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 66109126
1,7-dimethyl-8-oxa-2-azaspiro[4.5]decan-3-one
CID 66107621
(5R,9S)-9-methyl-2-azaspiro[4.4]nonan-3-one
CID 97030978
5-ethyl-6-azaspiro[3.4]octan-7-one
CID 81251758
9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79424608
9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione
CID 130007165
5-(4-bromophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79429863
5-(4-fluorophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79430176
8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid
CID 65082433

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one?
The IUPAC name of 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one (CID 66107618) is 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one.
What is the SMILES notation for 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one?
The canonical SMILES for 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one is CC1CCCC2(CC1)CC(=O)NC2C.
What is the InChIKey of 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one?
The InChIKey is JSKDJMPKWZYCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-4-3-6-12(7-5-9)8-11(14)13-10(12)2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one?
1,8-dimethyl-2-azaspiro[4.6]undecan-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-2-azaspiro[4.6]undecan-3-one is sourced from PubChem (CID 66107618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).