[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol

C12H17NO3 — CID 115882999

IUPAC[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol
SMILESOCc1ccc(CN2CC3CCC(C2)O3)o1
InChIInChI=1S/C12H17NO3/c14-8-12-4-3-11(16-12)7-13-5-9-1-2-10(6-13)15-9/h3-4,9-10,14H,1-2,5-8H2
InChIKeyCRISZPYYGUIYDR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.14
Rot. Bonds3

About [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol

[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol (PubChem CID 115882999) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol
PubChem CID115882999
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol
SMILESOCc1ccc(CN2CC3CCC(C2)O3)o1
InChIInChI=1S/C12H17NO3/c14-8-12-4-3-11(16-12)7-13-5-9-1-2-10(6-13)15-9/h3-4,9-10,14H,1-2,5-8H2
InChIKeyCRISZPYYGUIYDR-UHFFFAOYSA-N
XLogP1.14
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol?
The IUPAC name of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol (CID 115882999) is [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol is OCc1ccc(CN2CC3CCC(C2)O3)o1.
What is the InChIKey of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol?
The InChIKey is CRISZPYYGUIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-8-12-4-3-11(16-12)7-13-5-9-1-2-10(6-13)15-9/h3-4,9-10,14H,1-2,5-8H2.
What are the key properties of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol?
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol has a molecular weight of 223.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol is sourced from PubChem (CID 115882999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).