methyl 6-cyano-1-ethylindole-2-carboxylate

C13H12N2O2 — CID 45095679

IUPACmethyl 6-cyano-1-ethylindole-2-carboxylate
SMILESCCn1c(C(=O)OC)cc2ccc(C#N)cc21
InChIInChI=1S/C13H12N2O2/c1-3-15-11-6-9(8-14)4-5-10(11)7-12(15)13(16)17-2/h4-7H,3H2,1-2H3
InChIKeyFORGCHYHUYDJEU-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.32
Rot. Bonds2

About methyl 6-cyano-1-ethylindole-2-carboxylate

methyl 6-cyano-1-ethylindole-2-carboxylate (PubChem CID 45095679) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 6-cyano-1-ethylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-1-ethylindole-2-carboxylate
PubChem CID45095679
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 6-cyano-1-ethylindole-2-carboxylate
SMILESCCn1c(C(=O)OC)cc2ccc(C#N)cc21
InChIInChI=1S/C13H12N2O2/c1-3-15-11-6-9(8-14)4-5-10(11)7-12(15)13(16)17-2/h4-7H,3H2,1-2H3
InChIKeyFORGCHYHUYDJEU-UHFFFAOYSA-N
XLogP2.32
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-1-ethylindole-2-carboxylate?
The IUPAC name of methyl 6-cyano-1-ethylindole-2-carboxylate (CID 45095679) is methyl 6-cyano-1-ethylindole-2-carboxylate.
What is the SMILES notation for methyl 6-cyano-1-ethylindole-2-carboxylate?
The canonical SMILES for methyl 6-cyano-1-ethylindole-2-carboxylate is CCn1c(C(=O)OC)cc2ccc(C#N)cc21.
What is the InChIKey of methyl 6-cyano-1-ethylindole-2-carboxylate?
The InChIKey is FORGCHYHUYDJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-3-15-11-6-9(8-14)4-5-10(11)7-12(15)13(16)17-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 6-cyano-1-ethylindole-2-carboxylate?
methyl 6-cyano-1-ethylindole-2-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-1-ethylindole-2-carboxylate is sourced from PubChem (CID 45095679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).