tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one

C11H10O — CID 575764

IUPACtricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
SMILESO=C1CC2CC1c1ccccc12
InChIInChI=1S/C11H10O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2
InChIKeyMMDLBADSUSAPKF-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.23
Rot. Bonds

About tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one

tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one (PubChem CID 575764) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one.

Molecular Properties

Compound Nametricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
PubChem CID575764
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Nametricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
SMILESO=C1CC2CC1c1ccccc12
InChIInChI=1S/C11H10O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2
InChIKeyMMDLBADSUSAPKF-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one 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

Phenindione
CID 4760
Fluorenone
CID 10241
2-Indanone
CID 11983
1-Indanone
CID 6735
2,3-Dihydro-2,6-dimethyl-1H-inden-1-one
CID 11593477
1,3-Indandione, 2-benzoyl-
CID 95022
2-Acetylfluorene
CID 69908
1-Indanone, 3-phenyl-
CID 98146
3-Phenylcyclohexanone
CID 273661
2,3,3-Trimethylindanone
CID 10149036
2-Methylindanone
CID 249262
4-Phenylcyclohexanone
CID 78605

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one?
The IUPAC name of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one (CID 575764) is tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one.
What is the SMILES notation for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one?
The canonical SMILES for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one is O=C1CC2CC1c1ccccc12.
What is the InChIKey of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one?
The InChIKey is MMDLBADSUSAPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2.
What are the key properties of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one?
tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one has a molecular weight of 158.20 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one is sourced from PubChem (CID 575764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).