7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

C13H19NO2 — CID 83172564

IUPAC7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(Cc2ccoc2)CCN2CCCC2C1
InChIInChI=1S/C13H19NO2/c15-13(8-11-3-7-16-10-11)4-6-14-5-1-2-12(14)9-13/h3,7,10,12,15H,1-2,4-6,8-9H2
InChIKeyMJHIYUUPLINUQQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds2

About 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 83172564) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Name7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID83172564
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(Cc2ccoc2)CCN2CCCC2C1
InChIInChI=1S/C13H19NO2/c15-13(8-11-3-7-16-10-11)4-6-14-5-1-2-12(14)9-13/h3,7,10,12,15H,1-2,4-6,8-9H2
InChIKeyMJHIYUUPLINUQQ-UHFFFAOYSA-N
XLogP1.81
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 83172564) is 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is OC1(Cc2ccoc2)CCN2CCCC2C1.
What is the InChIKey of 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is MJHIYUUPLINUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-13(8-11-3-7-16-10-11)4-6-14-5-1-2-12(14)9-13/h3,7,10,12,15H,1-2,4-6,8-9H2.
What are the key properties of 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 221.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 83172564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).