(1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione

C11H12O2 — CID 162671753

IUPAC(1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione
SMILESO=C1CCC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1
InChIInChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-2,6-7,10-11H,3-5H2/t6-,7-,10-,11+/m0/s1
InChIKeyXJXQAAPFDMNNOS-AGNRWKBWSA-N
MW176.21 g/mol
LogP1.36
Rot. Bonds

About (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione

(1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione (PubChem CID 162671753) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione.

Molecular Properties

Compound Name(1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione
PubChem CID162671753
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione
SMILESO=C1CCC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1
InChIInChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-2,6-7,10-11H,3-5H2/t6-,7-,10-,11+/m0/s1
InChIKeyXJXQAAPFDMNNOS-AGNRWKBWSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

CID 79150
CID 79150
CID 103487
CID 103487
CID 95184
CID 95184
CID 225535
CID 225535
CID 107366
CID 107366
CID 548815
CID 548815
CID 98073639
CID 98073639
CID 2747778
CID 2747778
CID 6553878
CID 6553878
CID 11040758
CID 11040758
CID 11194504
CID 11194504
CID 12838347
CID 12838347

Frequently Asked Questions

What is the IUPAC name of (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione?
The IUPAC name of (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione (CID 162671753) is (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione.
What is the SMILES notation for (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione?
The canonical SMILES for (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione is O=C1CCC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione?
The InChIKey is XJXQAAPFDMNNOS-AGNRWKBWSA-N. The full InChI is InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-2,6-7,10-11H,3-5H2/t6-,7-,10-,11+/m0/s1.
What are the key properties of (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione?
(1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione has a molecular weight of 176.21 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione is sourced from PubChem (CID 162671753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).