ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate

C13H15NO2 — CID 101174727

IUPACethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate
SMILESC=C1CN(C)c2cccc(C(=O)OCC)c21
InChIInChI=1S/C13H15NO2/c1-4-16-13(15)10-6-5-7-11-12(10)9(2)8-14(11)3/h5-7H,2,4,8H2,1,3H3
InChIKeyUCTQTDDHNCINON-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.33
Rot. Bonds2

About ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate

ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate (PubChem CID 101174727) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate
PubChem CID101174727
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate
SMILESC=C1CN(C)c2cccc(C(=O)OCC)c21
InChIInChI=1S/C13H15NO2/c1-4-16-13(15)10-6-5-7-11-12(10)9(2)8-14(11)3/h5-7H,2,4,8H2,1,3H3
InChIKeyUCTQTDDHNCINON-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate (CID 101174727) is ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate is C=C1CN(C)c2cccc(C(=O)OCC)c21.
What is the InChIKey of ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate?
The InChIKey is UCTQTDDHNCINON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-16-13(15)10-6-5-7-11-12(10)9(2)8-14(11)3/h5-7H,2,4,8H2,1,3H3.
What are the key properties of ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate?
ethyl 1-methyl-3-methylidene-2H-indole-4-carboxylate has a molecular weight of 217.27 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 1-methyl-3-methylidene-2H-indole-4-carboxylate is sourced from PubChem (CID 101174727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).