1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one

C13H23NO — CID 66108931

IUPAC1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one
SMILESCC1(C)CCC2(CC1)CC(=O)NC2(C)C
InChIInChI=1S/C13H23NO/c1-11(2)5-7-13(8-6-11)9-10(15)14-12(13,3)4/h5-9H2,1-4H3,(H,14,15)
InChIKeyQUXPYBFHQPRBRM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.87
Rot. Bonds

About 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one

1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one (PubChem CID 66108931) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one
PubChem CID66108931
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one
SMILESCC1(C)CCC2(CC1)CC(=O)NC2(C)C
InChIInChI=1S/C13H23NO/c1-11(2)5-7-13(8-6-11)9-10(15)14-12(13,3)4/h5-9H2,1-4H3,(H,14,15)
InChIKeyQUXPYBFHQPRBRM-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one (CID 66108931) is 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one is CC1(C)CCC2(CC1)CC(=O)NC2(C)C.
What is the InChIKey of 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is QUXPYBFHQPRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)5-7-13(8-6-11)9-10(15)14-12(13,3)4/h5-9H2,1-4H3,(H,14,15).
What are the key properties of 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one?
1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66108931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).