(7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one

C8H13NO2 — CID 98010107

IUPAC(7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one
SMILESNC[C@H]1CC2(CCC2)C(=O)O1
InChIInChI=1S/C8H13NO2/c9-5-6-4-8(2-1-3-8)7(10)11-6/h6H,1-5,9H2/t6-/m1/s1
InChIKeyXKPOXTRNTBPGGS-ZCFIWIBFSA-N
MW155.20 g/mol
LogP0.43
Rot. Bonds1

About (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one

(7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one (PubChem CID 98010107) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one
PubChem CID98010107
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one
SMILESNC[C@H]1CC2(CCC2)C(=O)O1
InChIInChI=1S/C8H13NO2/c9-5-6-4-8(2-1-3-8)7(10)11-6/h6H,1-5,9H2/t6-/m1/s1
InChIKeyXKPOXTRNTBPGGS-ZCFIWIBFSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one?
The IUPAC name of (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one (CID 98010107) is (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one.
What is the SMILES notation for (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one?
The canonical SMILES for (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one is NC[C@H]1CC2(CCC2)C(=O)O1.
What is the InChIKey of (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one?
The InChIKey is XKPOXTRNTBPGGS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO2/c9-5-6-4-8(2-1-3-8)7(10)11-6/h6H,1-5,9H2/t6-/m1/s1.
What are the key properties of (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one?
(7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one is sourced from PubChem (CID 98010107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).