ethyl 4,6-dimethyl-7H-indole-2-carboxylate

C13H15NO2 — CID 68728198

IUPACethyl 4,6-dimethyl-7H-indole-2-carboxylate
SMILESCCOC(=O)C1=CC2=C(C)C=C(C)CC2=N1
InChIInChI=1S/C13H15NO2/c1-4-16-13(15)12-7-10-9(3)5-8(2)6-11(10)14-12/h5,7H,4,6H2,1-3H3
InChIKeyYWXZSMWRSBXPIU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.55
Rot. Bonds2

About ethyl 4,6-dimethyl-7H-indole-2-carboxylate

ethyl 4,6-dimethyl-7H-indole-2-carboxylate (PubChem CID 68728198) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl 4,6-dimethyl-7H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dimethyl-7H-indole-2-carboxylate
PubChem CID68728198
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethyl 4,6-dimethyl-7H-indole-2-carboxylate
SMILESCCOC(=O)C1=CC2=C(C)C=C(C)CC2=N1
InChIInChI=1S/C13H15NO2/c1-4-16-13(15)12-7-10-9(3)5-8(2)6-11(10)14-12/h5,7H,4,6H2,1-3H3
InChIKeyYWXZSMWRSBXPIU-UHFFFAOYSA-N
XLogP2.55
TPSA38.66 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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dimethyl-7H-indole-2-carboxylate?
The IUPAC name of ethyl 4,6-dimethyl-7H-indole-2-carboxylate (CID 68728198) is ethyl 4,6-dimethyl-7H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4,6-dimethyl-7H-indole-2-carboxylate?
The canonical SMILES for ethyl 4,6-dimethyl-7H-indole-2-carboxylate is CCOC(=O)C1=CC2=C(C)C=C(C)CC2=N1.
What is the InChIKey of ethyl 4,6-dimethyl-7H-indole-2-carboxylate?
The InChIKey is YWXZSMWRSBXPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-16-13(15)12-7-10-9(3)5-8(2)6-11(10)14-12/h5,7H,4,6H2,1-3H3.
What are the key properties of ethyl 4,6-dimethyl-7H-indole-2-carboxylate?
ethyl 4,6-dimethyl-7H-indole-2-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dimethyl-7H-indole-2-carboxylate is sourced from PubChem (CID 68728198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).