8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C7H12N2O2 — CID 121207311

IUPAC8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCN1CC2(CNC2)OCC1=O
InChIInChI=1S/C7H12N2O2/c1-9-5-7(3-8-4-7)11-2-6(9)10/h8H,2-5H2,1H3
InChIKeyQTSSMXHVDRYGTO-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.18
Rot. Bonds

About 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 121207311) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID121207311
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCN1CC2(CNC2)OCC1=O
InChIInChI=1S/C7H12N2O2/c1-9-5-7(3-8-4-7)11-2-6(9)10/h8H,2-5H2,1H3
InChIKeyQTSSMXHVDRYGTO-UHFFFAOYSA-N
XLogP-1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 121207311) is 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is CN1CC2(CNC2)OCC1=O.
What is the InChIKey of 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is QTSSMXHVDRYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-9-5-7(3-8-4-7)11-2-6(9)10/h8H,2-5H2,1H3.
What are the key properties of 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 156.19 g/mol, XLogP of -1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 121207311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).