2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one

C14H20N2O3 — CID 61231667

IUPAC2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H20N2O3/c1-16(7-12-6-13(17)14(18)8-19-12)11-4-9-2-3-10(5-11)15-9/h6,8-11,15,18H,2-5,7H2,1H3
InChIKeyFUKDIMJXALDQRN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds3

About 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one

2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one (PubChem CID 61231667) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one
PubChem CID61231667
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H20N2O3/c1-16(7-12-6-13(17)14(18)8-19-12)11-4-9-2-3-10(5-11)15-9/h6,8-11,15,18H,2-5,7H2,1H3
InChIKeyFUKDIMJXALDQRN-UHFFFAOYSA-N
XLogP1.06
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one (CID 61231667) is 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one is CN(Cc1cc(=O)c(O)co1)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one?
The InChIKey is FUKDIMJXALDQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(7-12-6-13(17)14(18)8-19-12)11-4-9-2-3-10(5-11)15-9/h6,8-11,15,18H,2-5,7H2,1H3.
What are the key properties of 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one?
2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one has a molecular weight of 264.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 61231667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).