8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane

C17H26N2O2 — CID 118738717

IUPAC8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1coc(CN2CCC3(CC2)CC(N2CCCC2)CO3)c1
InChIInChI=1S/C17H26N2O2/c1-2-8-19(7-1)15-12-17(21-14-15)5-9-18(10-6-17)13-16-4-3-11-20-16/h3-4,11,15H,1-2,5-10,12-14H2
InChIKeyGOBAULULGVSJNM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.50
Rot. Bonds3

About 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane

8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118738717) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118738717
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1coc(CN2CCC3(CC2)CC(N2CCCC2)CO3)c1
InChIInChI=1S/C17H26N2O2/c1-2-8-19(7-1)15-12-17(21-14-15)5-9-18(10-6-17)13-16-4-3-11-20-16/h3-4,11,15H,1-2,5-10,12-14H2
InChIKeyGOBAULULGVSJNM-UHFFFAOYSA-N
XLogP2.50
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane (CID 118738717) is 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane is c1coc(CN2CCC3(CC2)CC(N2CCCC2)CO3)c1.
What is the InChIKey of 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GOBAULULGVSJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-8-19(7-1)15-12-17(21-14-15)5-9-18(10-6-17)13-16-4-3-11-20-16/h3-4,11,15H,1-2,5-10,12-14H2.
What are the key properties of 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 290.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118738717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).