ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate

C21H24O3 — CID 102458221

IUPACethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate
SMILESCCOC(=O)CCC1=C(C=C2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C21H24O3/c1-2-24-20(22)13-12-17-16-10-6-7-11-18(16)21(23)19(17)14-15-8-4-3-5-9-15/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyAYHWOPPMWRGLJI-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.87
Rot. Bonds5

About ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate

ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate (PubChem CID 102458221) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate
PubChem CID102458221
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Nameethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate
SMILESCCOC(=O)CCC1=C(C=C2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C21H24O3/c1-2-24-20(22)13-12-17-16-10-6-7-11-18(16)21(23)19(17)14-15-8-4-3-5-9-15/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyAYHWOPPMWRGLJI-UHFFFAOYSA-N
XLogP4.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate 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

2-(cyclohexylidenemethyl)-3-methylinden-1-one
CID 134946531
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
(2S)-2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 18640718
2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 19812261
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
ethyl 3-(cyclohepten-1-yl)propanoate
CID 135031394
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoate
CID 46253541
3-(1,3-dioxoisoindol-2-yl)propyl 3-(4-methylphenyl)propanoate
CID 110495074
ethyl 3-phenylpropanoate;propanal
CID 90891703
ethyl 3-(1-methylpyrrol-2-yl)propanoate
CID 69110219

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate?
The IUPAC name of ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate (CID 102458221) is ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate is CCOC(=O)CCC1=C(C=C2CCCCC2)C(=O)c2ccccc21.
What is the InChIKey of ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate?
The InChIKey is AYHWOPPMWRGLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-2-24-20(22)13-12-17-16-10-6-7-11-18(16)21(23)19(17)14-15-8-4-3-5-9-15/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3.
What are the key properties of ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate?
ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate has a molecular weight of 324.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate is sourced from PubChem (CID 102458221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).