8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one

C11H17NO3 — CID 149104854

IUPAC8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESCCOC1C(N)C2CC1C1C(=O)OCC21
InChIInChI=1S/C11H17NO3/c1-2-14-10-6-3-5(9(10)12)7-4-15-11(13)8(6)7/h5-10H,2-4,12H2,1H3
InChIKeyQVLLAWHZTPDADE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.16
Rot. Bonds2

About 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one

8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 149104854) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID149104854
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESCCOC1C(N)C2CC1C1C(=O)OCC21
InChIInChI=1S/C11H17NO3/c1-2-14-10-6-3-5(9(10)12)7-4-15-11(13)8(6)7/h5-10H,2-4,12H2,1H3
InChIKeyQVLLAWHZTPDADE-UHFFFAOYSA-N
XLogP0.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one (CID 149104854) is 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one is CCOC1C(N)C2CC1C1C(=O)OCC21.
What is the InChIKey of 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is QVLLAWHZTPDADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-14-10-6-3-5(9(10)12)7-4-15-11(13)8(6)7/h5-10H,2-4,12H2,1H3.
What are the key properties of 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 149104854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).