ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate

C13H14O2 — CID 23288817

IUPACethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCc2ccccc21
InChIInChI=1S/C13H14O2/c1-2-15-13(14)9-11-8-7-10-5-3-4-6-12(10)11/h3-6,9H,2,7-8H2,1H3/b11-9-
InChIKeyKRGWQDMTJGWQFM-LUAWRHEFSA-N
MW202.25 g/mol
LogP2.58
Rot. Bonds2

About ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate

ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate (PubChem CID 23288817) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
PubChem CID23288817
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Nameethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCc2ccccc21
InChIInChI=1S/C13H14O2/c1-2-15-13(14)9-11-8-7-10-5-3-4-6-12(10)11/h3-6,9H,2,7-8H2,1H3/b11-9-
InChIKeyKRGWQDMTJGWQFM-LUAWRHEFSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-(4-bromo-2,3-dihydroinden-1-ylidene)acetate
CID 125464204
ethyl (2E)-2-(6,7-dihydrocyclopenta[b]pyridin-5-ylidene)acetate
CID 146584592
ethyl 2-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)acetate
CID 172740654
ethyl (2Z)-2-(2,2-dimethyl-4,5-dihydro-1H-2-benzosilepin-3-ylidene)acetate
CID 102048288
ethyl 2-(2H-acenaphthylen-1-ylidene)acetate
CID 70179131
ethyl 2-(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-ylidene)acetate
CID 162807730
ethyl 2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetate
CID 66997837
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate
CID 14713456
ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ylidene]acetate
CID 102098728
ethane;(3E)-3-propylidene-1,2-dihydroindene
CID 143438466

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate (CID 23288817) is ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate is CCOC(=O)/C=C1/CCc2ccccc21.
What is the InChIKey of ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate?
The InChIKey is KRGWQDMTJGWQFM-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-15-13(14)9-11-8-7-10-5-3-4-6-12(10)11/h3-6,9H,2,7-8H2,1H3/b11-9-.
What are the key properties of ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate?
ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate has a molecular weight of 202.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate is sourced from PubChem (CID 23288817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).