4,5-dimethyl-2,3-dihydroisoindol-1-one

C10H11NO — CID 57076044

IUPAC4,5-dimethyl-2,3-dihydroisoindol-1-one
SMILESCc1ccc2c(c1C)CNC2=O
InChIInChI=1S/C10H11NO/c1-6-3-4-8-9(7(6)2)5-11-10(8)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyJBOZOPBYMSDYAL-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.55
Rot. Bonds

About 4,5-dimethyl-2,3-dihydroisoindol-1-one

4,5-dimethyl-2,3-dihydroisoindol-1-one (PubChem CID 57076044) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydroisoindol-1-one
PubChem CID57076044
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4,5-dimethyl-2,3-dihydroisoindol-1-one
SMILESCc1ccc2c(c1C)CNC2=O
InChIInChI=1S/C10H11NO/c1-6-3-4-8-9(7(6)2)5-11-10(8)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyJBOZOPBYMSDYAL-UHFFFAOYSA-N
XLogP1.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 4,5-dimethyl-2,3-dihydroisoindol-1-one (CID 57076044) is 4,5-dimethyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4,5-dimethyl-2,3-dihydroisoindol-1-one is Cc1ccc2c(c1C)CNC2=O.
What is the InChIKey of 4,5-dimethyl-2,3-dihydroisoindol-1-one?
The InChIKey is JBOZOPBYMSDYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-3-4-8-9(7(6)2)5-11-10(8)12/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 4,5-dimethyl-2,3-dihydroisoindol-1-one?
4,5-dimethyl-2,3-dihydroisoindol-1-one has a molecular weight of 161.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 57076044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).