methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate

C15H13NO3 — CID 164611558

IUPACmethyl 5-(furan-2-yl)-1-methylindole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2ccc(-c3ccco3)cc12
InChIInChI=1S/C15H13NO3/c1-16-9-12(15(17)18-2)11-8-10(5-6-13(11)16)14-4-3-7-19-14/h3-9H,1-2H3
InChIKeyGRERJGWCVMKGOG-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.22
Rot. Bonds2

About methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate

methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate (PubChem CID 164611558) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-yl)-1-methylindole-3-carboxylate
PubChem CID164611558
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 5-(furan-2-yl)-1-methylindole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2ccc(-c3ccco3)cc12
InChIInChI=1S/C15H13NO3/c1-16-9-12(15(17)18-2)11-8-10(5-6-13(11)16)14-4-3-7-19-14/h3-9H,1-2H3
InChIKeyGRERJGWCVMKGOG-UHFFFAOYSA-N
XLogP3.22
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate?
The IUPAC name of methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate (CID 164611558) is methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate?
The canonical SMILES for methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate is COC(=O)c1cn(C)c2ccc(-c3ccco3)cc12.
What is the InChIKey of methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate?
The InChIKey is GRERJGWCVMKGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-16-9-12(15(17)18-2)11-8-10(5-6-13(11)16)14-4-3-7-19-14/h3-9H,1-2H3.
What are the key properties of methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate?
methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-yl)-1-methylindole-3-carboxylate is sourced from PubChem (CID 164611558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).