1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one

C10H17NO2 — CID 82720327

IUPAC1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one
SMILESCC1OCCC12CC(=O)NC2(C)C
InChIInChI=1S/C10H17NO2/c1-7-10(4-5-13-7)6-8(12)11-9(10,2)3/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeySUNUSHDBMJXFRO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds

About 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one

1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one (PubChem CID 82720327) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one
PubChem CID82720327
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one
SMILESCC1OCCC12CC(=O)NC2(C)C
InChIInChI=1S/C10H17NO2/c1-7-10(4-5-13-7)6-8(12)11-9(10,2)3/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeySUNUSHDBMJXFRO-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one (CID 82720327) is 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one is CC1OCCC12CC(=O)NC2(C)C.
What is the InChIKey of 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one?
The InChIKey is SUNUSHDBMJXFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-10(4-5-13-7)6-8(12)11-9(10,2)3/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one?
1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one has a molecular weight of 183.25 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 82720327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).