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

C13H19NO2 — CID 83171533

IUPAC1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESOC1(Cc2ccco2)CCN2CCCCC21
InChIInChI=1S/C13H19NO2/c15-13(10-11-4-3-9-16-11)6-8-14-7-2-1-5-12(13)14/h3-4,9,12,15H,1-2,5-8,10H2
InChIKeyJKTKMPLXISAPDR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds2

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

1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (PubChem CID 83171533) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
PubChem CID83171533
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESOC1(Cc2ccco2)CCN2CCCCC21
InChIInChI=1S/C13H19NO2/c15-13(10-11-4-3-9-16-11)6-8-14-7-2-1-5-12(13)14/h3-4,9,12,15H,1-2,5-8,10H2
InChIKeyJKTKMPLXISAPDR-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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Related Compounds

4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105366023
1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 105402722
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
1-[(5-bromo-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 113455002
(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 163074803
3-(furan-2-ylmethyl)-2-methylthian-3-ol
CID 83173054
1-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856124
1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855647
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
2-[2-(furan-2-yl)ethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926000
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The IUPAC name of 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (CID 83171533) is 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The canonical SMILES for 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is OC1(Cc2ccco2)CCN2CCCCC21.
What is the InChIKey of 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The InChIKey is JKTKMPLXISAPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-13(10-11-4-3-9-16-11)6-8-14-7-2-1-5-12(13)14/h3-4,9,12,15H,1-2,5-8,10H2.
What are the key properties of 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-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 1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is sourced from PubChem (CID 83171533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).