ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate

C14H17NO2 — CID 22486115

IUPACethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate
SMILESC=C1N(C)c2ccccc2C1(C)C(=O)OCC
InChIInChI=1S/C14H17NO2/c1-5-17-13(16)14(3)10(2)15(4)12-9-7-6-8-11(12)14/h6-9H,2,5H2,1,3-4H3
InChIKeyVESAWBVJNARNQK-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.47
Rot. Bonds2

About ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate

ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate (PubChem CID 22486115) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate
PubChem CID22486115
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nameethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate
SMILESC=C1N(C)c2ccccc2C1(C)C(=O)OCC
InChIInChI=1S/C14H17NO2/c1-5-17-13(16)14(3)10(2)15(4)12-9-7-6-8-11(12)14/h6-9H,2,5H2,1,3-4H3
InChIKeyVESAWBVJNARNQK-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
ethyl 7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene-9-carboxylate
CID 89207064
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-ynoate
CID 134966925
ethyl 1,3,5-trimethyl-2-oxoindole-3-carboxylate
CID 56945773
(3S)-1,3-dimethyl-2-methylidene-3-propylindole
CID 15789536
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
ethyl 3-methyl-2-phenylindole-3-carboxylate
CID 46854944
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
CID 157064125
ethyl (4S)-4-hydroxy-3-methyl-2-oxo-1H-quinazoline-4-carboxylate
CID 744798
diethyl 1-butyl-2-oxo-3H-quinoline-4,4-dicarboxylate
CID 135067401

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate?
The IUPAC name of ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate (CID 22486115) is ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate?
The canonical SMILES for ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate is C=C1N(C)c2ccccc2C1(C)C(=O)OCC.
What is the InChIKey of ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate?
The InChIKey is VESAWBVJNARNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-5-17-13(16)14(3)10(2)15(4)12-9-7-6-8-11(12)14/h6-9H,2,5H2,1,3-4H3.
What are the key properties of ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate?
ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate is sourced from PubChem (CID 22486115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).