ethyl 2-(5-bromoindol-1-yl)pentanoate

C15H18BrNO2 — CID 113345781

IUPACethyl 2-(5-bromoindol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1ccc2cc(Br)ccc21
InChIInChI=1S/C15H18BrNO2/c1-3-5-14(15(18)19-4-2)17-9-8-11-10-12(16)6-7-13(11)17/h6-10,14H,3-5H2,1-2H3
InChIKeyGAQONAPFDIHXHZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.31
Rot. Bonds5

About ethyl 2-(5-bromoindol-1-yl)pentanoate

ethyl 2-(5-bromoindol-1-yl)pentanoate (PubChem CID 113345781) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is ethyl 2-(5-bromoindol-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(5-bromoindol-1-yl)pentanoate
PubChem CID113345781
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Nameethyl 2-(5-bromoindol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1ccc2cc(Br)ccc21
InChIInChI=1S/C15H18BrNO2/c1-3-5-14(15(18)19-4-2)17-9-8-11-10-12(16)6-7-13(11)17/h6-10,14H,3-5H2,1-2H3
InChIKeyGAQONAPFDIHXHZ-UHFFFAOYSA-N
XLogP4.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromoindol-1-yl)pentanoate?
The IUPAC name of ethyl 2-(5-bromoindol-1-yl)pentanoate (CID 113345781) is ethyl 2-(5-bromoindol-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(5-bromoindol-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(5-bromoindol-1-yl)pentanoate is CCCC(C(=O)OCC)n1ccc2cc(Br)ccc21.
What is the InChIKey of ethyl 2-(5-bromoindol-1-yl)pentanoate?
The InChIKey is GAQONAPFDIHXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-5-14(15(18)19-4-2)17-9-8-11-10-12(16)6-7-13(11)17/h6-10,14H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(5-bromoindol-1-yl)pentanoate?
ethyl 2-(5-bromoindol-1-yl)pentanoate has a molecular weight of 324.22 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromoindol-1-yl)pentanoate is sourced from PubChem (CID 113345781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).