(2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid

C8H8O4 — CID 15366923

IUPAC(2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid
SMILESCOC1=CC(=O)C/C1=C\C(=O)O
InChIInChI=1S/C8H8O4/c1-12-7-4-6(9)2-5(7)3-8(10)11/h3-4H,2H2,1H3,(H,10,11)/b5-3+
InChIKeyFVIHLJXKBGARLS-HWKANZROSA-N
MW168.15 g/mol
LogP0.50
Rot. Bonds2

About (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid

(2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid (PubChem CID 15366923) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid
PubChem CID15366923
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid
SMILESCOC1=CC(=O)C/C1=C\C(=O)O
InChIInChI=1S/C8H8O4/c1-12-7-4-6(9)2-5(7)3-8(10)11/h3-4H,2H2,1H3,(H,10,11)/b5-3+
InChIKeyFVIHLJXKBGARLS-HWKANZROSA-N
XLogP0.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid 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

6-Ethyl-4-hydroxy-3-propanoyl-2H-pyran-2-one
CID 54687836
6-Ethyl-4-hydroxy-3-propylpyran-2-one
CID 137654188
Delitpyrone D
CID 139588657
4-Hydroxy-6-methyl-3-propionyl-2H-pyran-2-one
CID 54684272
Citreo-g-pyrone
CID 10727819
3-(2,6-Dimethyl-4-oxopyran-3-yl)-3-methoxyprop-2-enoic acid
CID 85247615
Germicidin J
CID 132543966
Scirpyrone K
CID 139590687
Aspergone A
CID 156581208
4-Hydroxy-3-(2-oxopropyl)pyran-2-one
CID 91216376
Methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate
CID 90959815
dimethyl (5Z)-5-(1-hydroxyethylidene)-3-methylcyclopenta-1,3-diene-1,2-dicarboxylate
CID 121013955

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid?
The IUPAC name of (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid (CID 15366923) is (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid is COC1=CC(=O)C/C1=C\C(=O)O.
What is the InChIKey of (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid?
The InChIKey is FVIHLJXKBGARLS-HWKANZROSA-N. The full InChI is InChI=1S/C8H8O4/c1-12-7-4-6(9)2-5(7)3-8(10)11/h3-4H,2H2,1H3,(H,10,11)/b5-3+.
What are the key properties of (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid?
(2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid has a molecular weight of 168.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methoxy-4-oxocyclopent-2-en-1-ylidene)acetic acid is sourced from PubChem (CID 15366923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).