Ethyl 2-methylideneindole-3-carboxylate

Name: Ethyl 2-methylideneindole-3-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₁NO₂ — CID 123224411

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Ethyl 2-methylideneindole-3-carboxylate
PubChem CID	123224411
Molecular Formula	C₁₂H₁₁NO₂
Molecular Weight	201.22 g/mol
Exact Mass	201.08
IUPAC Name	ethyl 2-methylideneindole-3-carboxylate
SMILES	C=C1N=c2ccccc2=C1C(=O)OCC
InChI	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
InChIKey	YGPHEPFFMQKNPI-UHFFFAOYSA-N
XLogP	0.55
TPSA	38.66 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.22
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 123224411 — identifiers, structure, computed properties (public domain)

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