(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

C11H9FN2O — CID 67351939

IUPAC(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESN[C@H]1Cn2c(=O)ccc3ccc(F)c1c32
InChIInChI=1S/C11H9FN2O/c12-7-3-1-6-2-4-9(15)14-5-8(13)10(7)11(6)14/h1-4,8H,5,13H2/t8-/m0/s1
InChIKeyUXZWGFSCWWFZLI-QMMMGPOBSA-N
MW204.20 g/mol
LogP1.15
Rot. Bonds

About (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (PubChem CID 67351939) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.

Molecular Properties

Compound Name(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
PubChem CID67351939
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESN[C@H]1Cn2c(=O)ccc3ccc(F)c1c32
InChIInChI=1S/C11H9FN2O/c12-7-3-1-6-2-4-9(15)14-5-8(13)10(7)11(6)14/h1-4,8H,5,13H2/t8-/m0/s1
InChIKeyUXZWGFSCWWFZLI-QMMMGPOBSA-N
XLogP1.15
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-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 (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The IUPAC name of (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (CID 67351939) is (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.
What is the SMILES notation for (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The canonical SMILES for (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is N[C@H]1Cn2c(=O)ccc3ccc(F)c1c32.
What is the InChIKey of (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The InChIKey is UXZWGFSCWWFZLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-7-3-1-6-2-4-9(15)14-5-8(13)10(7)11(6)14/h1-4,8H,5,13H2/t8-/m0/s1.
What are the key properties of (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one has a molecular weight of 204.20 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is sourced from PubChem (CID 67351939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).