2,2-dimethyl-1-azaspiro[5.5]undecan-4-one

C12H21NO — CID 14961667

IUPAC2,2-dimethyl-1-azaspiro[5.5]undecan-4-one
SMILESCC1(C)CC(=O)CC2(CCCCC2)N1
InChIInChI=1S/C12H21NO/c1-11(2)8-10(14)9-12(13-11)6-4-3-5-7-12/h13H,3-9H2,1-2H3
InChIKeyZMENCCJXKBIGBG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.42
Rot. Bonds

About 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one

2,2-dimethyl-1-azaspiro[5.5]undecan-4-one (PubChem CID 14961667) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name2,2-dimethyl-1-azaspiro[5.5]undecan-4-one
PubChem CID14961667
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,2-dimethyl-1-azaspiro[5.5]undecan-4-one
SMILESCC1(C)CC(=O)CC2(CCCCC2)N1
InChIInChI=1S/C12H21NO/c1-11(2)8-10(14)9-12(13-11)6-4-3-5-7-12/h13H,3-9H2,1-2H3
InChIKeyZMENCCJXKBIGBG-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one?
The IUPAC name of 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one (CID 14961667) is 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one.
What is the SMILES notation for 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one?
The canonical SMILES for 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one is CC1(C)CC(=O)CC2(CCCCC2)N1.
What is the InChIKey of 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one?
The InChIKey is ZMENCCJXKBIGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)8-10(14)9-12(13-11)6-4-3-5-7-12/h13H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one?
2,2-dimethyl-1-azaspiro[5.5]undecan-4-one has a molecular weight of 195.31 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-azaspiro[5.5]undecan-4-one is sourced from PubChem (CID 14961667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).