7,9-dimethyl-2-azaspiro[4.5]decan-3-one

C11H19NO — CID 66109117

IUPAC7,9-dimethyl-2-azaspiro[4.5]decan-3-one
SMILESCC1CC(C)CC2(CNC(=O)C2)C1
InChIInChI=1S/C11H19NO/c1-8-3-9(2)5-11(4-8)6-10(13)12-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXDPNKLRAPUFFCL-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds

About 7,9-dimethyl-2-azaspiro[4.5]decan-3-one

7,9-dimethyl-2-azaspiro[4.5]decan-3-one (PubChem CID 66109117) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 7,9-dimethyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7,9-dimethyl-2-azaspiro[4.5]decan-3-one
PubChem CID66109117
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name7,9-dimethyl-2-azaspiro[4.5]decan-3-one
SMILESCC1CC(C)CC2(CNC(=O)C2)C1
InChIInChI=1S/C11H19NO/c1-8-3-9(2)5-11(4-8)6-10(13)12-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXDPNKLRAPUFFCL-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 7,9-dimethyl-2-azaspiro[4.5]decan-3-one (CID 66109117) is 7,9-dimethyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 7,9-dimethyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 7,9-dimethyl-2-azaspiro[4.5]decan-3-one is CC1CC(C)CC2(CNC(=O)C2)C1.
What is the InChIKey of 7,9-dimethyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is XDPNKLRAPUFFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-3-9(2)5-11(4-8)6-10(13)12-7-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 7,9-dimethyl-2-azaspiro[4.5]decan-3-one?
7,9-dimethyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 181.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66109117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).