9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane

C15H23NO2 — CID 65117626

IUPAC9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCc1ccc(C2CNCC3(CCC(C)CC3)O2)o1
InChIInChI=1S/C15H23NO2/c1-11-5-7-15(8-6-11)10-16-9-14(18-15)13-4-3-12(2)17-13/h3-4,11,14,16H,5-10H2,1-2H3
InChIKeyBIIQJYNZXNQDPB-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.20
Rot. Bonds1

About 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane

9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65117626) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65117626
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCc1ccc(C2CNCC3(CCC(C)CC3)O2)o1
InChIInChI=1S/C15H23NO2/c1-11-5-7-15(8-6-11)10-16-9-14(18-15)13-4-3-12(2)17-13/h3-4,11,14,16H,5-10H2,1-2H3
InChIKeyBIIQJYNZXNQDPB-UHFFFAOYSA-N
XLogP3.20
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane (CID 65117626) is 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane is Cc1ccc(C2CNCC3(CCC(C)CC3)O2)o1.
What is the InChIKey of 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is BIIQJYNZXNQDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-5-7-15(8-6-11)10-16-9-14(18-15)13-4-3-12(2)17-13/h3-4,11,14,16H,5-10H2,1-2H3.
What are the key properties of 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 249.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65117626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).