(1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C10H10O3 — CID 59584615

IUPAC(1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESC[C@]12C=C[C@@H](O1)[C@@H]1C(=O)CC(=O)[C@@H]12
InChIInChI=1S/C10H10O3/c1-10-3-2-7(13-10)8-5(11)4-6(12)9(8)10/h2-3,7-9H,4H2,1H3/t7-,8+,9+,10-/m1/s1
InChIKeyHGBYBLQSPDGIKJ-XFWSIPNHSA-N
MW178.19 g/mol
LogP0.49
Rot. Bonds

About (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 59584615) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID59584615
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESC[C@]12C=C[C@@H](O1)[C@@H]1C(=O)CC(=O)[C@@H]12
InChIInChI=1S/C10H10O3/c1-10-3-2-7(13-10)8-5(11)4-6(12)9(8)10/h2-3,7-9H,4H2,1H3/t7-,8+,9+,10-/m1/s1
InChIKeyHGBYBLQSPDGIKJ-XFWSIPNHSA-N
XLogP0.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione 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 (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 59584615) is (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)CC(=O)[C@@H]12.
What is the InChIKey of (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is HGBYBLQSPDGIKJ-XFWSIPNHSA-N. The full InChI is InChI=1S/C10H10O3/c1-10-3-2-7(13-10)8-5(11)4-6(12)9(8)10/h2-3,7-9H,4H2,1H3/t7-,8+,9+,10-/m1/s1.
What are the key properties of (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 178.19 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R)-1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 59584615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).