7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one

C11H20N2O — CID 164647039

IUPAC7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one
SMILESCC1CC(C)(C)CC2(CC(=O)NN2)C1
InChIInChI=1S/C11H20N2O/c1-8-4-10(2,3)7-11(5-8)6-9(14)12-13-11/h8,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyOAIPPPVAVYXPQD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.60
Rot. Bonds

About 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one

7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one (PubChem CID 164647039) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one
PubChem CID164647039
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one
SMILESCC1CC(C)(C)CC2(CC(=O)NN2)C1
InChIInChI=1S/C11H20N2O/c1-8-4-10(2,3)7-11(5-8)6-9(14)12-13-11/h8,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyOAIPPPVAVYXPQD-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one?
The IUPAC name of 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one (CID 164647039) is 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one is CC1CC(C)(C)CC2(CC(=O)NN2)C1.
What is the InChIKey of 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one?
The InChIKey is OAIPPPVAVYXPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-4-10(2,3)7-11(5-8)6-9(14)12-13-11/h8,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one?
7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one has a molecular weight of 196.29 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 164647039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).