methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate

C15H16BrNO2 — CID 21105287

IUPACmethyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCC3)c(Br)[nH]c2c1
InChIInChI=1S/C15H16BrNO2/c1-19-15(18)10-6-7-11-12(8-10)17-14(16)13(11)9-4-2-3-5-9/h6-9,17H,2-5H2,1H3
InChIKeyZBRWSPQCEGZDCP-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.37
Rot. Bonds2

About methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate

methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate (PubChem CID 21105287) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate
PubChem CID21105287
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Namemethyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCC3)c(Br)[nH]c2c1
InChIInChI=1S/C15H16BrNO2/c1-19-15(18)10-6-7-11-12(8-10)17-14(16)13(11)9-4-2-3-5-9/h6-9,17H,2-5H2,1H3
InChIKeyZBRWSPQCEGZDCP-UHFFFAOYSA-N
XLogP4.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate (CID 21105287) is methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate is COC(=O)c1ccc2c(C3CCCC3)c(Br)[nH]c2c1.
What is the InChIKey of methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate?
The InChIKey is ZBRWSPQCEGZDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-19-15(18)10-6-7-11-12(8-10)17-14(16)13(11)9-4-2-3-5-9/h6-9,17H,2-5H2,1H3.
What are the key properties of methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate?
methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate has a molecular weight of 322.20 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate is sourced from PubChem (CID 21105287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).