1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C7H12N2O2 — CID 83872852

IUPAC1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C(=O)OCC12CCNC2
InChIInChI=1S/C7H12N2O2/c1-9-6(10)11-5-7(9)2-3-8-4-7/h8H,2-5H2,1H3
InChIKeyUNFOOAXZGXAZTM-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.20
Rot. Bonds

About 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 83872852) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID83872852
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C(=O)OCC12CCNC2
InChIInChI=1S/C7H12N2O2/c1-9-6(10)11-5-7(9)2-3-8-4-7/h8H,2-5H2,1H3
InChIKeyUNFOOAXZGXAZTM-UHFFFAOYSA-N
XLogP-0.20
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 ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 83872852) is 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is CN1C(=O)OCC12CCNC2.
What is the InChIKey of 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is UNFOOAXZGXAZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-9-6(10)11-5-7(9)2-3-8-4-7/h8H,2-5H2,1H3.
What are the key properties of 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 156.19 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 83872852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).