5-methyl-2,3-dihydroisoindol-1-one

C9H9NO — CID 22064671

IUPAC5-methyl-2,3-dihydroisoindol-1-one
SMILESCc1ccc2c(c1)CNC2=O
InChIInChI=1S/C9H9NO/c1-6-2-3-8-7(4-6)5-10-9(8)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyAHKBMKCIJLCNIH-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.24
Rot. Bonds

About 5-methyl-2,3-dihydroisoindol-1-one

5-methyl-2,3-dihydroisoindol-1-one (PubChem CID 22064671) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-methyl-2,3-dihydroisoindol-1-one
PubChem CID22064671
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-methyl-2,3-dihydroisoindol-1-one
SMILESCc1ccc2c(c1)CNC2=O
InChIInChI=1S/C9H9NO/c1-6-2-3-8-7(4-6)5-10-9(8)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyAHKBMKCIJLCNIH-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-Ethylphthalimide
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CID 235046
PIMOM (N-Methoxymethyl phthalimide
CID 12246933

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-methyl-2,3-dihydroisoindol-1-one (CID 22064671) is 5-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-methyl-2,3-dihydroisoindol-1-one is Cc1ccc2c(c1)CNC2=O.
What is the InChIKey of 5-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is AHKBMKCIJLCNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-2-3-8-7(4-6)5-10-9(8)11/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 5-methyl-2,3-dihydroisoindol-1-one?
5-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 147.18 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 22064671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).