3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane

C18H23NO2 — CID 62527334

IUPAC3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
SMILESCC1CCC2(CC1)COC(c1cc3ccccc3o1)CN2
InChIInChI=1S/C18H23NO2/c1-13-6-8-18(9-7-13)12-20-17(11-19-18)16-10-14-4-2-3-5-15(14)21-16/h2-5,10,13,17,19H,6-9,11-12H2,1H3
InChIKeyUGNYGRJNSSPDFJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.04
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane

3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 62527334) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
PubChem CID62527334
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
SMILESCC1CCC2(CC1)COC(c1cc3ccccc3o1)CN2
InChIInChI=1S/C18H23NO2/c1-13-6-8-18(9-7-13)12-20-17(11-19-18)16-10-14-4-2-3-5-15(14)21-16/h2-5,10,13,17,19H,6-9,11-12H2,1H3
InChIKeyUGNYGRJNSSPDFJ-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane (CID 62527334) is 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane is CC1CCC2(CC1)COC(c1cc3ccccc3o1)CN2.
What is the InChIKey of 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is UGNYGRJNSSPDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-6-8-18(9-7-13)12-20-17(11-19-18)16-10-14-4-2-3-5-15(14)21-16/h2-5,10,13,17,19H,6-9,11-12H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane?
3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 285.39 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 62527334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).