(1-ethylindol-7-yl) hypobromite

C10H10BrNO — CID 23151410

IUPAC(1-ethylindol-7-yl) hypobromite
SMILESCCn1ccc2cccc(OBr)c21
InChIInChI=1S/C10H10BrNO/c1-2-12-7-6-8-4-3-5-9(13-11)10(8)12/h3-7H,2H2,1H3
InChIKeySHHZEOOSXUHMLE-UHFFFAOYSA-N
MW240.10 g/mol
LogP3.35
Rot. Bonds2

About (1-ethylindol-7-yl) hypobromite

(1-ethylindol-7-yl) hypobromite (PubChem CID 23151410) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (1-ethylindol-7-yl) hypobromite.

Molecular Properties

Compound Name(1-ethylindol-7-yl) hypobromite
PubChem CID23151410
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(1-ethylindol-7-yl) hypobromite
SMILESCCn1ccc2cccc(OBr)c21
InChIInChI=1S/C10H10BrNO/c1-2-12-7-6-8-4-3-5-9(13-11)10(8)12/h3-7H,2H2,1H3
InChIKeySHHZEOOSXUHMLE-UHFFFAOYSA-N
XLogP3.35
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-7-yl) hypobromite?
The IUPAC name of (1-ethylindol-7-yl) hypobromite (CID 23151410) is (1-ethylindol-7-yl) hypobromite.
What is the SMILES notation for (1-ethylindol-7-yl) hypobromite?
The canonical SMILES for (1-ethylindol-7-yl) hypobromite is CCn1ccc2cccc(OBr)c21.
What is the InChIKey of (1-ethylindol-7-yl) hypobromite?
The InChIKey is SHHZEOOSXUHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-2-12-7-6-8-4-3-5-9(13-11)10(8)12/h3-7H,2H2,1H3.
What are the key properties of (1-ethylindol-7-yl) hypobromite?
(1-ethylindol-7-yl) hypobromite has a molecular weight of 240.10 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-7-yl) hypobromite is sourced from PubChem (CID 23151410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).