5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one

C11H18N2O2 — CID 105464207

IUPAC5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one
SMILESCC(=O)CCN1C(=O)CC2(CCC2)N1C
InChIInChI=1S/C11H18N2O2/c1-9(14)4-7-13-10(15)8-11(12(13)2)5-3-6-11/h3-8H2,1-2H3
InChIKeyUUMDNSBCXDBGNG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.97
Rot. Bonds3

About 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one

5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one (PubChem CID 105464207) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one
PubChem CID105464207
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one
SMILESCC(=O)CCN1C(=O)CC2(CCC2)N1C
InChIInChI=1S/C11H18N2O2/c1-9(14)4-7-13-10(15)8-11(12(13)2)5-3-6-11/h3-8H2,1-2H3
InChIKeyUUMDNSBCXDBGNG-UHFFFAOYSA-N
XLogP0.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one?
The IUPAC name of 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one (CID 105464207) is 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one.
What is the SMILES notation for 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one?
The canonical SMILES for 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one is CC(=O)CCN1C(=O)CC2(CCC2)N1C.
What is the InChIKey of 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one?
The InChIKey is UUMDNSBCXDBGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(14)4-7-13-10(15)8-11(12(13)2)5-3-6-11/h3-8H2,1-2H3.
What are the key properties of 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one?
5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one has a molecular weight of 210.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one is sourced from PubChem (CID 105464207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).