6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one

C11H19NO2 — CID 81313659

IUPAC6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1CC(C)(C)CCC12CNC(=O)O2
InChIInChI=1S/C11H19NO2/c1-8-6-10(2,3)4-5-11(8)7-12-9(13)14-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyPYFITNVRHMEARL-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.31
Rot. Bonds

About 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one

6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 81313659) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID81313659
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1CC(C)(C)CCC12CNC(=O)O2
InChIInChI=1S/C11H19NO2/c1-8-6-10(2,3)4-5-11(8)7-12-9(13)14-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyPYFITNVRHMEARL-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 81313659) is 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC1CC(C)(C)CCC12CNC(=O)O2.
What is the InChIKey of 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is PYFITNVRHMEARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-6-10(2,3)4-5-11(8)7-12-9(13)14-11/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 81313659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).