methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate

C13H14N2O3 — CID 91491470

IUPACmethyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate
SMILESCCNC(=O)c1c[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C13H14N2O3/c1-3-14-12(16)10-7-15-11-6-8(13(17)18-2)4-5-9(10)11/h4-7,15H,3H2,1-2H3,(H,14,16)
InChIKeyMTXMTAUEEZADOT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.70
Rot. Bonds3

About methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate

methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate (PubChem CID 91491470) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate
PubChem CID91491470
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate
SMILESCCNC(=O)c1c[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C13H14N2O3/c1-3-14-12(16)10-7-15-11-6-8(13(17)18-2)4-5-9(10)11/h4-7,15H,3H2,1-2H3,(H,14,16)
InChIKeyMTXMTAUEEZADOT-UHFFFAOYSA-N
XLogP1.70
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate (CID 91491470) is methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate is CCNC(=O)c1c[nH]c2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate?
The InChIKey is MTXMTAUEEZADOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-14-12(16)10-7-15-11-6-8(13(17)18-2)4-5-9(10)11/h4-7,15H,3H2,1-2H3,(H,14,16).
What are the key properties of methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate?
methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 91491470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).