bromo 3-cyclopentyl-1-methylindole-6-carboxylate

C15H16BrNO2 — CID 141325350

IUPACbromo 3-cyclopentyl-1-methylindole-6-carboxylate
SMILESCn1cc(C2CCCC2)c2ccc(C(=O)OBr)cc21
InChIInChI=1S/C15H16BrNO2/c1-17-9-13(10-4-2-3-5-10)12-7-6-11(8-14(12)17)15(18)19-16/h6-10H,2-5H2,1H3
InChIKeyUWRSQYYRCPWEQQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.30
Rot. Bonds2

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

bromo 3-cyclopentyl-1-methylindole-6-carboxylate (PubChem CID 141325350) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is bromo 3-cyclopentyl-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namebromo 3-cyclopentyl-1-methylindole-6-carboxylate
PubChem CID141325350
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Namebromo 3-cyclopentyl-1-methylindole-6-carboxylate
SMILESCn1cc(C2CCCC2)c2ccc(C(=O)OBr)cc21
InChIInChI=1S/C15H16BrNO2/c1-17-9-13(10-4-2-3-5-10)12-7-6-11(8-14(12)17)15(18)19-16/h6-10H,2-5H2,1H3
InChIKeyUWRSQYYRCPWEQQ-UHFFFAOYSA-N
XLogP4.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bromo 3-cyclopentyl-1-methylindole-6-carboxylate?
The IUPAC name of bromo 3-cyclopentyl-1-methylindole-6-carboxylate (CID 141325350) is bromo 3-cyclopentyl-1-methylindole-6-carboxylate.
What is the SMILES notation for bromo 3-cyclopentyl-1-methylindole-6-carboxylate?
The canonical SMILES for bromo 3-cyclopentyl-1-methylindole-6-carboxylate is Cn1cc(C2CCCC2)c2ccc(C(=O)OBr)cc21.
What is the InChIKey of bromo 3-cyclopentyl-1-methylindole-6-carboxylate?
The InChIKey is UWRSQYYRCPWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-17-9-13(10-4-2-3-5-10)12-7-6-11(8-14(12)17)15(18)19-16/h6-10H,2-5H2,1H3.
What are the key properties of bromo 3-cyclopentyl-1-methylindole-6-carboxylate?
bromo 3-cyclopentyl-1-methylindole-6-carboxylate has a molecular weight of 322.20 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 3-cyclopentyl-1-methylindole-6-carboxylate is sourced from PubChem (CID 141325350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).