5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one

C10H17NO — CID 106664189

IUPAC5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one
SMILESCC1CC(C)(C)CC12CC(=O)N2
InChIInChI=1S/C10H17NO/c1-7-4-9(2,3)6-10(7)5-8(12)11-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyDZPHPHMVSBHZKH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds

About 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one

5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one (PubChem CID 106664189) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one.

Molecular Properties

Compound Name5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one
PubChem CID106664189
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one
SMILESCC1CC(C)(C)CC12CC(=O)N2
InChIInChI=1S/C10H17NO/c1-7-4-9(2,3)6-10(7)5-8(12)11-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyDZPHPHMVSBHZKH-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one?
The IUPAC name of 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one (CID 106664189) is 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one.
What is the SMILES notation for 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one?
The canonical SMILES for 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one is CC1CC(C)(C)CC12CC(=O)N2.
What is the InChIKey of 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one?
The InChIKey is DZPHPHMVSBHZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-4-9(2,3)6-10(7)5-8(12)11-10/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one?
5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one is sourced from PubChem (CID 106664189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).