methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate

C9H10O4 — CID 10856114

IUPACmethyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate
SMILESCOC(=O)/C=C1\CC(=O)C=C1OC
InChIInChI=1S/C9H10O4/c1-12-8-5-7(10)3-6(8)4-9(11)13-2/h4-5H,3H2,1-2H3/b6-4+
InChIKeyLBPDJPUFTLXBMZ-GQCTYLIASA-N
MW182.17 g/mol
LogP0.59
Rot. Bonds2

About methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate

methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate (PubChem CID 10856114) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate
PubChem CID10856114
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Namemethyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate
SMILESCOC(=O)/C=C1\CC(=O)C=C1OC
InChIInChI=1S/C9H10O4/c1-12-8-5-7(10)3-6(8)4-9(11)13-2/h4-5H,3H2,1-2H3/b6-4+
InChIKeyLBPDJPUFTLXBMZ-GQCTYLIASA-N
XLogP0.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate 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

[(2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate
CID 67609664
T39Butenolide
CID 76322782
[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)-3-methyl-4-oxopentyl] acetate
CID 44604723
4-Methoxy-6-methyl-5-(3-oxobutyl)-2h-pyran-2-one
CID 102367320
Delitpyrone D
CID 139588657
5-Butanoyl-4-methoxy-6-methylpyran-2-one
CID 71524172
5-(E)-But-2-enylidene-3-propyl-5H-furan-2-one
CID 10035170
4-Hexa-2,4-dienyl-3-(2-oxo-propyl)-5h-furan-2-one
CID 129831550
5-Acetyl-6-methoxy-4-methylpyran-2-one
CID 12742398
Ethyl 3-acetyl-2-methyl-6-oxopyran-4-carboxylate
CID 121223218
5-acetyl-4,6-dimethyl-2H-pyran-2-one
CID 24770184
Methyl 4-methoxy-5-methyl-2-oxo-2h-pyran-6-propanoate
CID 85913429

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate (CID 10856114) is methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate is COC(=O)/C=C1\CC(=O)C=C1OC.
What is the InChIKey of methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate?
The InChIKey is LBPDJPUFTLXBMZ-GQCTYLIASA-N. The full InChI is InChI=1S/C9H10O4/c1-12-8-5-7(10)3-6(8)4-9(11)13-2/h4-5H,3H2,1-2H3/b6-4+.
What are the key properties of methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate?
methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate has a molecular weight of 182.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetate is sourced from PubChem (CID 10856114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).