ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate

C16H20O3 — CID 54452584

IUPACethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate
SMILESCCOC(=O)C=C1CCCC1c1cccc(OC)c1
InChIInChI=1S/C16H20O3/c1-3-19-16(17)11-13-7-5-9-15(13)12-6-4-8-14(10-12)18-2/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3
InChIKeyWVZAKJBIGUXVTR-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.45
Rot. Bonds4

About ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate

ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate (PubChem CID 54452584) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate
PubChem CID54452584
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Nameethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate
SMILESCCOC(=O)C=C1CCCC1c1cccc(OC)c1
InChIInChI=1S/C16H20O3/c1-3-19-16(17)11-13-7-5-9-15(13)12-6-4-8-14(10-12)18-2/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3
InChIKeyWVZAKJBIGUXVTR-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-[2-(4-methoxyphenyl)cyclohexylidene]acetate
CID 66651995
(2E)-2-[2-(3,5-dimethoxyphenyl)cyclohexylidene]acetic acid
CID 13366674
ethyl (4S)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691118
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate
CID 165488646
(NZ)-N-[2-(3-methoxyphenyl)cyclohexylidene]hydroxylamine
CID 6183979
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl 4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847402
ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate
CID 142960753
ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
CID 10802142
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate?
The IUPAC name of ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate (CID 54452584) is ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate.
What is the SMILES notation for ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate?
The canonical SMILES for ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate is CCOC(=O)C=C1CCCC1c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate?
The InChIKey is WVZAKJBIGUXVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-3-19-16(17)11-13-7-5-9-15(13)12-6-4-8-14(10-12)18-2/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3.
What are the key properties of ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate?
ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate has a molecular weight of 260.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methoxyphenyl)cyclopentylidene]acetate is sourced from PubChem (CID 54452584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).