5-phenyl-2,3-dihydro-1H-isoindole

C14H13N — CID 19691969

IUPAC5-phenyl-2,3-dihydro-1H-isoindole
SMILESc1ccc(-c2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C14H13N/c1-2-4-11(5-3-1)12-6-7-13-9-15-10-14(13)8-12/h1-8,15H,9-10H2
InChIKeySKFGGYSYEHRZCI-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.96
Rot. Bonds1

About 5-phenyl-2,3-dihydro-1H-isoindole

5-phenyl-2,3-dihydro-1H-isoindole (PubChem CID 19691969) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-phenyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-phenyl-2,3-dihydro-1H-isoindole
PubChem CID19691969
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name5-phenyl-2,3-dihydro-1H-isoindole
SMILESc1ccc(-c2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C14H13N/c1-2-4-11(5-3-1)12-6-7-13-9-15-10-14(13)8-12/h1-8,15H,9-10H2
InChIKeySKFGGYSYEHRZCI-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-phenyl-2,3-dihydro-1H-isoindole (CID 19691969) is 5-phenyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-phenyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-phenyl-2,3-dihydro-1H-isoindole is c1ccc(-c2ccc3c(c2)CNC3)cc1.
What is the InChIKey of 5-phenyl-2,3-dihydro-1H-isoindole?
The InChIKey is SKFGGYSYEHRZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-4-11(5-3-1)12-6-7-13-9-15-10-14(13)8-12/h1-8,15H,9-10H2.
What are the key properties of 5-phenyl-2,3-dihydro-1H-isoindole?
5-phenyl-2,3-dihydro-1H-isoindole has a molecular weight of 195.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 19691969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).