ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate

C13H13N3O2 — CID 14368914

IUPACethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cccc2[nH]c(C#N)cc12
InChIInChI=1S/C13H13N3O2/c1-2-18-13(17)8-15-11-4-3-5-12-10(11)6-9(7-14)16-12/h3-6,15-16H,2,8H2,1H3
InChIKeyLGMOAZXNWTUHIS-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.01
Rot. Bonds4

About ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate

ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate (PubChem CID 14368914) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate
PubChem CID14368914
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Nameethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cccc2[nH]c(C#N)cc12
InChIInChI=1S/C13H13N3O2/c1-2-18-13(17)8-15-11-4-3-5-12-10(11)6-9(7-14)16-12/h3-6,15-16H,2,8H2,1H3
InChIKeyLGMOAZXNWTUHIS-UHFFFAOYSA-N
XLogP2.01
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate (CID 14368914) is ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate is CCOC(=O)CNc1cccc2[nH]c(C#N)cc12.
What is the InChIKey of ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate?
The InChIKey is LGMOAZXNWTUHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-18-13(17)8-15-11-4-3-5-12-10(11)6-9(7-14)16-12/h3-6,15-16H,2,8H2,1H3.
What are the key properties of ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate?
ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate has a molecular weight of 243.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyano-1H-indol-4-yl)amino]acetate is sourced from PubChem (CID 14368914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).