6-chloro-4-ethenyl-2H-isoindole

C10H8ClN — CID 175819932

IUPAC6-chloro-4-ethenyl-2H-isoindole
SMILESC=Cc1cc(Cl)cc2c[nH]cc12
InChIInChI=1S/C10H8ClN/c1-2-7-3-9(11)4-8-5-12-6-10(7)8/h2-6,12H,1H2
InChIKeyPTLFQXIGLVYFIQ-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.46
Rot. Bonds1

About 6-chloro-4-ethenyl-2H-isoindole

6-chloro-4-ethenyl-2H-isoindole (PubChem CID 175819932) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 6-chloro-4-ethenyl-2H-isoindole.

Molecular Properties

Compound Name6-chloro-4-ethenyl-2H-isoindole
PubChem CID175819932
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name6-chloro-4-ethenyl-2H-isoindole
SMILESC=Cc1cc(Cl)cc2c[nH]cc12
InChIInChI=1S/C10H8ClN/c1-2-7-3-9(11)4-8-5-12-6-10(7)8/h2-6,12H,1H2
InChIKeyPTLFQXIGLVYFIQ-UHFFFAOYSA-N
XLogP3.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethenyl-2H-isoindole?
The IUPAC name of 6-chloro-4-ethenyl-2H-isoindole (CID 175819932) is 6-chloro-4-ethenyl-2H-isoindole.
What is the SMILES notation for 6-chloro-4-ethenyl-2H-isoindole?
The canonical SMILES for 6-chloro-4-ethenyl-2H-isoindole is C=Cc1cc(Cl)cc2c[nH]cc12.
What is the InChIKey of 6-chloro-4-ethenyl-2H-isoindole?
The InChIKey is PTLFQXIGLVYFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c1-2-7-3-9(11)4-8-5-12-6-10(7)8/h2-6,12H,1H2.
What are the key properties of 6-chloro-4-ethenyl-2H-isoindole?
6-chloro-4-ethenyl-2H-isoindole has a molecular weight of 177.63 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethenyl-2H-isoindole is sourced from PubChem (CID 175819932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).