1-methyl-3-phenyl-2H-isoindole

C15H13N — CID 13307622

IUPAC1-methyl-3-phenyl-2H-isoindole
SMILESCc1[nH]c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C15H13N/c1-11-13-9-5-6-10-14(13)15(16-11)12-7-3-2-4-8-12/h2-10,16H,1H3
InChIKeyBOINXXNLZOOZCY-UHFFFAOYSA-N
MW207.28 g/mol
LogP4.14
Rot. Bonds1

About 1-methyl-3-phenyl-2H-isoindole

1-methyl-3-phenyl-2H-isoindole (PubChem CID 13307622) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-methyl-3-phenyl-2H-isoindole.

Molecular Properties

Compound Name1-methyl-3-phenyl-2H-isoindole
PubChem CID13307622
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name1-methyl-3-phenyl-2H-isoindole
SMILESCc1[nH]c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C15H13N/c1-11-13-9-5-6-10-14(13)15(16-11)12-7-3-2-4-8-12/h2-10,16H,1H3
InChIKeyBOINXXNLZOOZCY-UHFFFAOYSA-N
XLogP4.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-2H-isoindole?
The IUPAC name of 1-methyl-3-phenyl-2H-isoindole (CID 13307622) is 1-methyl-3-phenyl-2H-isoindole.
What is the SMILES notation for 1-methyl-3-phenyl-2H-isoindole?
The canonical SMILES for 1-methyl-3-phenyl-2H-isoindole is Cc1[nH]c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-methyl-3-phenyl-2H-isoindole?
The InChIKey is BOINXXNLZOOZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-11-13-9-5-6-10-14(13)15(16-11)12-7-3-2-4-8-12/h2-10,16H,1H3.
What are the key properties of 1-methyl-3-phenyl-2H-isoindole?
1-methyl-3-phenyl-2H-isoindole has a molecular weight of 207.28 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-2H-isoindole is sourced from PubChem (CID 13307622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).