[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury

C9H11HgO2 — CID 10253904

IUPAC[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
SMILESCOC1(C)C=C(C)C(=O)/C1=C\[Hg]
InChIInChI=1S/C9H11O2.Hg/c1-6-5-9(3,11-4)7(2)8(6)10;/h2,5H,1,3-4H3;
InChIKeyVNVLRMRAGUTWHX-UHFFFAOYSA-N
MW351.78 g/mol
LogP1.35
Rot. Bonds1

About [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury

[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury (PubChem CID 10253904) has the molecular formula C9H11HgO2 and a molecular weight of 351.78 g/mol. Its IUPAC name is [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury.

Molecular Properties

Compound Name[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
PubChem CID10253904
Molecular FormulaC9H11HgO2
Molecular Weight351.78 g/mol
Exact Mass353.05
IUPAC Name[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
SMILESCOC1(C)C=C(C)C(=O)/C1=C\[Hg]
InChIInChI=1S/C9H11O2.Hg/c1-6-5-9(3,11-4)7(2)8(6)10;/h2,5H,1,3-4H3;
InChIKeyVNVLRMRAGUTWHX-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury 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

(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
CID 11018868
4-Methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one
CID 130037748
4-Butyl-4-methoxy-2-methylcyclohexa-2,5-dien-1-one
CID 134893641
[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]-(2,2,2-trifluoroacetyl)oxymercury
CID 16686381
(5Z)-4-methoxy-2,3,4-trimethyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
CID 9992899
(5Z)-4-methoxy-2,3,4-trimethyl-5-[(E)-non-2-en-5-ylidene]cyclopent-2-en-1-one
CID 10401246
(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10444716
chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10474469
chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
CID 10477713
(5Z)-5-but-3-enylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 11820303
2-(Methoxymethyl)cyclopent-2-en-1-one
CID 20381053
2-Ethyl-4-methoxycyclopent-2-en-1-one
CID 59962734

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The IUPAC name of [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury (CID 10253904) is [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury.
What is the SMILES notation for [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The canonical SMILES for [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury is COC1(C)C=C(C)C(=O)/C1=C\[Hg].
What is the InChIKey of [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The InChIKey is VNVLRMRAGUTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.Hg/c1-6-5-9(3,11-4)7(2)8(6)10;/h2,5H,1,3-4H3;.
What are the key properties of [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury has a molecular weight of 351.78 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury is sourced from PubChem (CID 10253904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).