2-benzyl-3H-isoindol-1-one

C15H13NO — CID 1485883

IUPAC2-benzyl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1Cc1ccccc1
InChIInChI=1S/C15H13NO/c17-15-14-9-5-4-8-13(14)11-16(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeySCSQXWFIZNVBID-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.84
Rot. Bonds2

About 2-benzyl-3H-isoindol-1-one

2-benzyl-3H-isoindol-1-one (PubChem CID 1485883) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-benzyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-benzyl-3H-isoindol-1-one
PubChem CID1485883
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-benzyl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1Cc1ccccc1
InChIInChI=1S/C15H13NO/c17-15-14-9-5-4-8-13(14)11-16(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeySCSQXWFIZNVBID-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3H-isoindol-1-one?
The IUPAC name of 2-benzyl-3H-isoindol-1-one (CID 1485883) is 2-benzyl-3H-isoindol-1-one.
What is the SMILES notation for 2-benzyl-3H-isoindol-1-one?
The canonical SMILES for 2-benzyl-3H-isoindol-1-one is O=C1c2ccccc2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3H-isoindol-1-one?
The InChIKey is SCSQXWFIZNVBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-15-14-9-5-4-8-13(14)11-16(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-benzyl-3H-isoindol-1-one?
2-benzyl-3H-isoindol-1-one has a molecular weight of 223.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3H-isoindol-1-one is sourced from PubChem (CID 1485883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).