methyl 3-cyclopentyl-1-methylindole-6-carboxylate

C16H19NO2 — CID 59658510

IUPACmethyl 3-cyclopentyl-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1
InChIInChI=1S/C16H19NO2/c1-17-10-14(11-5-3-4-6-11)13-8-7-12(9-15(13)17)16(18)19-2/h7-11H,3-6H2,1-2H3
InChIKeyVGKAMBRJOFZVFY-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds2

About methyl 3-cyclopentyl-1-methylindole-6-carboxylate

methyl 3-cyclopentyl-1-methylindole-6-carboxylate (PubChem CID 59658510) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 3-cyclopentyl-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-1-methylindole-6-carboxylate
PubChem CID59658510
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 3-cyclopentyl-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1
InChIInChI=1S/C16H19NO2/c1-17-10-14(11-5-3-4-6-11)13-8-7-12(9-15(13)17)16(18)19-2/h7-11H,3-6H2,1-2H3
InChIKeyVGKAMBRJOFZVFY-UHFFFAOYSA-N
XLogP3.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-1-methylindole-6-carboxylate?
The IUPAC name of methyl 3-cyclopentyl-1-methylindole-6-carboxylate (CID 59658510) is methyl 3-cyclopentyl-1-methylindole-6-carboxylate.
What is the SMILES notation for methyl 3-cyclopentyl-1-methylindole-6-carboxylate?
The canonical SMILES for methyl 3-cyclopentyl-1-methylindole-6-carboxylate is COC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1.
What is the InChIKey of methyl 3-cyclopentyl-1-methylindole-6-carboxylate?
The InChIKey is VGKAMBRJOFZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-10-14(11-5-3-4-6-11)13-8-7-12(9-15(13)17)16(18)19-2/h7-11H,3-6H2,1-2H3.
What are the key properties of methyl 3-cyclopentyl-1-methylindole-6-carboxylate?
methyl 3-cyclopentyl-1-methylindole-6-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-1-methylindole-6-carboxylate is sourced from PubChem (CID 59658510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).