(3E)-8-bromo-3-ethylidene-2H-quinoline

C11H10BrN — CID 70930194

IUPAC(3E)-8-bromo-3-ethylidene-2H-quinoline
SMILESC/C=C1\C=c2cccc(Br)c2=NC1
InChIInChI=1S/C11H10BrN/c1-2-8-6-9-4-3-5-10(12)11(9)13-7-8/h2-6H,7H2,1H3/b8-2+
InChIKeyRPXOJNZXZTUFPU-KRXBUXKQSA-N
MW236.11 g/mol
LogP1.81
Rot. Bonds

About (3E)-8-bromo-3-ethylidene-2H-quinoline

(3E)-8-bromo-3-ethylidene-2H-quinoline (PubChem CID 70930194) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is (3E)-8-bromo-3-ethylidene-2H-quinoline.

Molecular Properties

Compound Name(3E)-8-bromo-3-ethylidene-2H-quinoline
PubChem CID70930194
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name(3E)-8-bromo-3-ethylidene-2H-quinoline
SMILESC/C=C1\C=c2cccc(Br)c2=NC1
InChIInChI=1S/C11H10BrN/c1-2-8-6-9-4-3-5-10(12)11(9)13-7-8/h2-6H,7H2,1H3/b8-2+
InChIKeyRPXOJNZXZTUFPU-KRXBUXKQSA-N
XLogP1.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-8-bromo-3-ethylidene-2H-quinoline?
The IUPAC name of (3E)-8-bromo-3-ethylidene-2H-quinoline (CID 70930194) is (3E)-8-bromo-3-ethylidene-2H-quinoline.
What is the SMILES notation for (3E)-8-bromo-3-ethylidene-2H-quinoline?
The canonical SMILES for (3E)-8-bromo-3-ethylidene-2H-quinoline is C/C=C1\C=c2cccc(Br)c2=NC1.
What is the InChIKey of (3E)-8-bromo-3-ethylidene-2H-quinoline?
The InChIKey is RPXOJNZXZTUFPU-KRXBUXKQSA-N. The full InChI is InChI=1S/C11H10BrN/c1-2-8-6-9-4-3-5-10(12)11(9)13-7-8/h2-6H,7H2,1H3/b8-2+.
What are the key properties of (3E)-8-bromo-3-ethylidene-2H-quinoline?
(3E)-8-bromo-3-ethylidene-2H-quinoline has a molecular weight of 236.11 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-8-bromo-3-ethylidene-2H-quinoline is sourced from PubChem (CID 70930194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).