1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one

C13H22N2O2 — CID 71915806

IUPAC1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one
SMILESCN1CCC(N2CCOC3(CCCC3)C2)C1=O
InChIInChI=1S/C13H22N2O2/c1-14-7-4-11(12(14)16)15-8-9-17-13(10-15)5-2-3-6-13/h11H,2-10H2,1H3
InChIKeyLWTKYAPIQTXYNF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.86
Rot. Bonds1

About 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one

1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one (PubChem CID 71915806) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one
PubChem CID71915806
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one
SMILESCN1CCC(N2CCOC3(CCCC3)C2)C1=O
InChIInChI=1S/C13H22N2O2/c1-14-7-4-11(12(14)16)15-8-9-17-13(10-15)5-2-3-6-13/h11H,2-10H2,1H3
InChIKeyLWTKYAPIQTXYNF-UHFFFAOYSA-N
XLogP0.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one (CID 71915806) is 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one is CN1CCC(N2CCOC3(CCCC3)C2)C1=O.
What is the InChIKey of 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one?
The InChIKey is LWTKYAPIQTXYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-7-4-11(12(14)16)15-8-9-17-13(10-15)5-2-3-6-13/h11H,2-10H2,1H3.
What are the key properties of 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one?
1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrrolidin-2-one is sourced from PubChem (CID 71915806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).