3-phenyl-1H-isoindole

C14H11N — CID 12780483

IUPAC3-phenyl-1H-isoindole
SMILESc1ccc(C2=NCc3ccccc32)cc1
InChIInChI=1S/C14H11N/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14/h1-9H,10H2
InChIKeyUEELVSDELRPFOH-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.04
Rot. Bonds1

About 3-phenyl-1H-isoindole

3-phenyl-1H-isoindole (PubChem CID 12780483) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-phenyl-1H-isoindole.

Molecular Properties

Compound Name3-phenyl-1H-isoindole
PubChem CID12780483
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name3-phenyl-1H-isoindole
SMILESc1ccc(C2=NCc3ccccc32)cc1
InChIInChI=1S/C14H11N/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14/h1-9H,10H2
InChIKeyUEELVSDELRPFOH-UHFFFAOYSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-isoindole?
The IUPAC name of 3-phenyl-1H-isoindole (CID 12780483) is 3-phenyl-1H-isoindole.
What is the SMILES notation for 3-phenyl-1H-isoindole?
The canonical SMILES for 3-phenyl-1H-isoindole is c1ccc(C2=NCc3ccccc32)cc1.
What is the InChIKey of 3-phenyl-1H-isoindole?
The InChIKey is UEELVSDELRPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14/h1-9H,10H2.
What are the key properties of 3-phenyl-1H-isoindole?
3-phenyl-1H-isoindole has a molecular weight of 193.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-isoindole is sourced from PubChem (CID 12780483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).