4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione

C13H12O2 — CID 123380347

IUPAC4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione
SMILESC=C1C(=O)C2=C(C(=O)C1C)C1C=CC2C1
InChIInChI=1S/C13H12O2/c1-6-7(2)13(15)11-9-4-3-8(5-9)10(11)12(6)14/h3-4,7-9H,1,5H2,2H3
InChIKeyHUSAIKDESBMMBH-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.83
Rot. Bonds

About 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione

4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione (PubChem CID 123380347) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione.

Molecular Properties

Compound Name4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione
PubChem CID123380347
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione
SMILESC=C1C(=O)C2=C(C(=O)C1C)C1C=CC2C1
InChIInChI=1S/C13H12O2/c1-6-7(2)13(15)11-9-4-3-8(5-9)10(11)12(6)14/h3-4,7-9H,1,5H2,2H3
InChIKeyHUSAIKDESBMMBH-UHFFFAOYSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene
CID 134964182
tricyclo[5.2.1.02,6]deca-2(6),4,8-trien-3-one
CID 86169630
(1S,2E,5R)-2-[(1S,5R)-6,6-dimethyl-4-methylidene-3-oxo-2-bicyclo[3.1.1]heptanylidene]-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-one
CID 100935387
(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene
CID 124556656
4,6-dimethyl-2-methylidenecyclohexane-1,3-dione
CID 70519866
tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one
CID 15372414
(1R,15S)-4-ethyl-4-azapentacyclo[13.2.1.02,14.03,11.05,10]octadeca-2(14),3(11),5,7,9,16-hexaene-12,13-dione
CID 11403529
(1S,3R,5R)-3-methylbicyclo[3.2.1]oct-6-en-2-one
CID 101347395
(1S,4R,7S,10R,11S,14R,15S,18R)-heptacyclo[8.4.4.14,7.111,14.01,10.03,8.015,18]icosa-3(8),5,12,16-tetraene-2,9-dione
CID 10379358
(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one
CID 131041323
4-methyl-3-methylidenepyrrolidin-2-one
CID 69168911
(1S,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 6931995

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione?
The IUPAC name of 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione (CID 123380347) is 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione.
What is the SMILES notation for 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione?
The canonical SMILES for 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione is C=C1C(=O)C2=C(C(=O)C1C)C1C=CC2C1.
What is the InChIKey of 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione?
The InChIKey is HUSAIKDESBMMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-6-7(2)13(15)11-9-4-3-8(5-9)10(11)12(6)14/h3-4,7-9H,1,5H2,2H3.
What are the key properties of 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione?
4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione has a molecular weight of 200.24 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidenetricyclo[6.2.1.02,7]undeca-2(7),9-diene-3,6-dione is sourced from PubChem (CID 123380347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).