ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate

C18H14N2O2 — CID 68700480

IUPACethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccc(C#N)cc3)ccc2[nH]1
InChIInChI=1S/C18H14N2O2/c1-2-22-18(21)17-10-15-9-14(7-8-16(15)20-17)13-5-3-12(11-19)4-6-13/h3-10,20H,2H2,1H3
InChIKeyWFDDYKDUQCBCMD-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.88
Rot. Bonds3

About ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate

ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate (PubChem CID 68700480) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
PubChem CID68700480
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Nameethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccc(C#N)cc3)ccc2[nH]1
InChIInChI=1S/C18H14N2O2/c1-2-22-18(21)17-10-15-9-14(7-8-16(15)20-17)13-5-3-12(11-19)4-6-13/h3-10,20H,2H2,1H3
InChIKeyWFDDYKDUQCBCMD-UHFFFAOYSA-N
XLogP3.88
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(2-cyanoethyl)-1H-indole-2-carboxylate
CID 70096807
ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate
CID 18185208
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate
CID 175663715
ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate
CID 164809743
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 5-[3-(1-adamantyl)-4-hydroxyphenyl]-1H-indole-2-carboxylate
CID 22134803
ethyl 5-(2-amino-4-bromo-3-carbamoylphenyl)-1H-indole-2-carboxylate
CID 175498117
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate (CID 68700480) is ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(-c3ccc(C#N)cc3)ccc2[nH]1.
What is the InChIKey of ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate?
The InChIKey is WFDDYKDUQCBCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-2-22-18(21)17-10-15-9-14(7-8-16(15)20-17)13-5-3-12(11-19)4-6-13/h3-10,20H,2H2,1H3.
What are the key properties of ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate?
ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 68700480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).