ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate

C14H13NO2 — CID 46850160

IUPACethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate
SMILESC=C1c2ccccc2CC1(C#N)C(=O)OCC
InChIInChI=1S/C14H13NO2/c1-3-17-13(16)14(9-15)8-11-6-4-5-7-12(11)10(14)2/h4-7H,2-3,8H2,1H3
InChIKeyASMTZMJLMDFNDB-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.33
Rot. Bonds2

About ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate

ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate (PubChem CID 46850160) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate
PubChem CID46850160
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Nameethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate
SMILESC=C1c2ccccc2CC1(C#N)C(=O)OCC
InChIInChI=1S/C14H13NO2/c1-3-17-13(16)14(9-15)8-11-6-4-5-7-12(11)10(14)2/h4-7H,2-3,8H2,1H3
InChIKeyASMTZMJLMDFNDB-UHFFFAOYSA-N
XLogP2.33
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-ethoxy-3-oxoprop-1-ynyl)-3-oxo-1H-indene-2-carboxylate
CID 134953328
ethyl (1'S,2S,3'R)-1'-cyano-3'-(2,4-dichlorophenyl)-3-oxospiro[1H-indene-2,2'-cyclopropane]-1'-carboxylate
CID 7347252
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
ethyl 4-oxo-3-prop-2-enyl-1H-isothiochromene-3-carboxylate
CID 102421373
diethyl (4Z)-4-benzylidene-1,3-dihydronaphthalene-2,2-dicarboxylate
CID 14713456
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl (2R)-3-oxo-2-phenacyl-1H-indene-2-carboxylate
CID 135016562
ethyl 1-cyano-2-methylidene-4-methylsulfonylcyclopentane-1-carboxylate
CID 102567490
diethyl 4-hexyl-1H-naphthalene-2,2-dicarboxylate
CID 15005133
ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)propanoate
CID 7453181
ethyl 2-(prop-2-ynylamino)-1,3-dihydroindene-2-carboxylate
CID 55063107
ethyl (2R)-2-(4-bromobut-2-enyl)-3-oxo-1H-indene-2-carboxylate
CID 6713288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate?
The IUPAC name of ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate (CID 46850160) is ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate is C=C1c2ccccc2CC1(C#N)C(=O)OCC.
What is the InChIKey of ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate?
The InChIKey is ASMTZMJLMDFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-3-17-13(16)14(9-15)8-11-6-4-5-7-12(11)10(14)2/h4-7H,2-3,8H2,1H3.
What are the key properties of ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate?
ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate is sourced from PubChem (CID 46850160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).