(8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid

C15H19NO4 — CID 3036075

IUPAC(8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid
SMILESCN1CCC2C[C@@H](C1)c1ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C13H17N.C2H2O4/c1-14-7-6-10-8-11(9-14)13-5-3-2-4-12(10)13;3-1(4)2(5)6/h2-5,10-11H,6-9H2,1H3;(H,3,4)(H,5,6)/t10?,11-;/m0./s1
InChIKeyVOIHYGPFXIEUCI-GQNCZFCYSA-N
MW277.32 g/mol
LogP1.75
Rot. Bonds

About (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid

(8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid (PubChem CID 3036075) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid.

Molecular Properties

Compound Name(8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid
PubChem CID3036075
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid
SMILESCN1CCC2C[C@@H](C1)c1ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C13H17N.C2H2O4/c1-14-7-6-10-8-11(9-14)13-5-3-2-4-12(10)13;3-1(4)2(5)6/h2-5,10-11H,6-9H2,1H3;(H,3,4)(H,5,6)/t10?,11-;/m0./s1
InChIKeyVOIHYGPFXIEUCI-GQNCZFCYSA-N
XLogP1.75
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid 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 (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid?
The IUPAC name of (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid (CID 3036075) is (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid.
What is the SMILES notation for (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid?
The canonical SMILES for (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid is CN1CCC2C[C@@H](C1)c1ccccc12.O=C(O)C(=O)O.
What is the InChIKey of (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid?
The InChIKey is VOIHYGPFXIEUCI-GQNCZFCYSA-N. The full InChI is InChI=1S/C13H17N.C2H2O4/c1-14-7-6-10-8-11(9-14)13-5-3-2-4-12(10)13;3-1(4)2(5)6/h2-5,10-11H,6-9H2,1H3;(H,3,4)(H,5,6)/t10?,11-;/m0./s1.
What are the key properties of (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid?
(8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid has a molecular weight of 277.32 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-10-methyl-10-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;oxalic acid is sourced from PubChem (CID 3036075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).