ethyl 2-methylideneindole-3-carboxylate

C12H11NO2 — CID 123224411

IUPACethyl 2-methylideneindole-3-carboxylate
SMILESC=C1N=c2ccccc2=C1C(=O)OCC
InChIInChI=1S/C12H11NO2/c1-3-15-12(14)11-8(2)13-10-7-5-4-6-9(10)11/h4-7H,2-3H2,1H3
InChIKeyYGPHEPFFMQKNPI-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.55
Rot. Bonds2

About ethyl 2-methylideneindole-3-carboxylate

ethyl 2-methylideneindole-3-carboxylate (PubChem CID 123224411) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 2-methylideneindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylideneindole-3-carboxylate
PubChem CID123224411
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Nameethyl 2-methylideneindole-3-carboxylate
SMILESC=C1N=c2ccccc2=C1C(=O)OCC
InChIInChI=1S/C12H11NO2/c1-3-15-12(14)11-8(2)13-10-7-5-4-6-9(10)11/h4-7H,2-3H2,1H3
InChIKeyYGPHEPFFMQKNPI-UHFFFAOYSA-N
XLogP0.55
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylideneindole-3-carboxylate?
The IUPAC name of ethyl 2-methylideneindole-3-carboxylate (CID 123224411) is ethyl 2-methylideneindole-3-carboxylate.
What is the SMILES notation for ethyl 2-methylideneindole-3-carboxylate?
The canonical SMILES for ethyl 2-methylideneindole-3-carboxylate is C=C1N=c2ccccc2=C1C(=O)OCC.
What is the InChIKey of ethyl 2-methylideneindole-3-carboxylate?
The InChIKey is YGPHEPFFMQKNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-3-15-12(14)11-8(2)13-10-7-5-4-6-9(10)11/h4-7H,2-3H2,1H3.
What are the key properties of ethyl 2-methylideneindole-3-carboxylate?
ethyl 2-methylideneindole-3-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylideneindole-3-carboxylate is sourced from PubChem (CID 123224411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).