5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C12H22N2O2 — CID 20522024

IUPAC5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C(=O)COC2(CCNCC2)C1C
InChIInChI=1S/C12H22N2O2/c1-9(2)14-10(3)12(16-8-11(14)15)4-6-13-7-5-12/h9-10,13H,4-8H2,1-3H3
InChIKeyGDTGXZGZYOOWCQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.76
Rot. Bonds1

About 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20522024) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20522024
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C(=O)COC2(CCNCC2)C1C
InChIInChI=1S/C12H22N2O2/c1-9(2)14-10(3)12(16-8-11(14)15)4-6-13-7-5-12/h9-10,13H,4-8H2,1-3H3
InChIKeyGDTGXZGZYOOWCQ-UHFFFAOYSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10927128, Example 49
CID 135332689
US10927128, Example 60
CID 135332708
US10927128, Example 2
CID 135332709
US10927128, Example 59
CID 135332721
US10927128, Example 44
CID 135332744
US10927128, Example 56
CID 135332756
US10927128, Example 53
CID 135332757
US10927128, Example 50
CID 135332806
US10927128, Example 57
CID 135332828
US10927128, Example 61
CID 135332830
US10927128, Example 51
CID 135332858
US11649248, Example 59
CID 156290271

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20522024) is 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)N1C(=O)COC2(CCNCC2)C1C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GDTGXZGZYOOWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)14-10(3)12(16-8-11(14)15)4-6-13-7-5-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 226.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20522024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).