3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one

C10H17NO — CID 130900507

IUPAC3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one
SMILESCC1CCC12C(C)NC(=O)C2C
InChIInChI=1S/C10H17NO/c1-6-4-5-10(6)7(2)9(12)11-8(10)3/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyAOPZPLTXAARVGF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds

About 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one

3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one (PubChem CID 130900507) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one
PubChem CID130900507
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one
SMILESCC1CCC12C(C)NC(=O)C2C
InChIInChI=1S/C10H17NO/c1-6-4-5-10(6)7(2)9(12)11-8(10)3/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyAOPZPLTXAARVGF-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one?
The IUPAC name of 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one (CID 130900507) is 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one.
What is the SMILES notation for 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one?
The canonical SMILES for 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one is CC1CCC12C(C)NC(=O)C2C.
What is the InChIKey of 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one?
The InChIKey is AOPZPLTXAARVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-4-5-10(6)7(2)9(12)11-8(10)3/h6-8H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one?
3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one has a molecular weight of 167.25 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one is sourced from PubChem (CID 130900507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).