(1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one

C8H13NO2 — CID 11869144

IUPAC(1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one
SMILESNC[C@]12CC[C@H](CC(=O)C1)O2
InChIInChI=1S/C8H13NO2/c9-5-8-2-1-7(11-8)3-6(10)4-8/h7H,1-5,9H2/t7-,8+/m1/s1
InChIKeyFJYINJAFKNSPJK-SFYZADRCSA-N
MW155.20 g/mol
LogP0.23
Rot. Bonds1

About (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one

(1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one (PubChem CID 11869144) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one
PubChem CID11869144
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one
SMILESNC[C@]12CC[C@H](CC(=O)C1)O2
InChIInChI=1S/C8H13NO2/c9-5-8-2-1-7(11-8)3-6(10)4-8/h7H,1-5,9H2/t7-,8+/m1/s1
InChIKeyFJYINJAFKNSPJK-SFYZADRCSA-N
XLogP0.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one (CID 11869144) is (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one is NC[C@]12CC[C@H](CC(=O)C1)O2.
What is the InChIKey of (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is FJYINJAFKNSPJK-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO2/c9-5-8-2-1-7(11-8)3-6(10)4-8/h7H,1-5,9H2/t7-,8+/m1/s1.
What are the key properties of (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one?
(1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 11869144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).