ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate

C17H20O3 — CID 10802142

IUPACethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\CCC\C1=C/c1ccc(OC)cc1
InChIInChI=1S/C17H20O3/c1-3-20-17(18)12-15-6-4-5-14(15)11-13-7-9-16(19-2)10-8-13/h7-12H,3-6H2,1-2H3/b14-11+,15-12+
InChIKeyHOGZSNOFINPSBB-LCPPQYOVSA-N
MW272.34 g/mol
LogP3.75
Rot. Bonds4

About ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate

ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate (PubChem CID 10802142) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
PubChem CID10802142
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\CCC\C1=C/c1ccc(OC)cc1
InChIInChI=1S/C17H20O3/c1-3-20-17(18)12-15-6-4-5-14(15)11-13-7-9-16(19-2)10-8-13/h7-12H,3-6H2,1-2H3/b14-11+,15-12+
InChIKeyHOGZSNOFINPSBB-LCPPQYOVSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate (CID 10802142) is ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate is CCOC(=O)/C=C1\CCC\C1=C/c1ccc(OC)cc1.
What is the InChIKey of ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate?
The InChIKey is HOGZSNOFINPSBB-LCPPQYOVSA-N. The full InChI is InChI=1S/C17H20O3/c1-3-20-17(18)12-15-6-4-5-14(15)11-13-7-9-16(19-2)10-8-13/h7-12H,3-6H2,1-2H3/b14-11+,15-12+.
What are the key properties of ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate?
ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate has a molecular weight of 272.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate is sourced from PubChem (CID 10802142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).