6-(dimethylamino)-2,3-dihydroisoindol-1-one

C10H12N2O — CID 50941193

IUPAC6-(dimethylamino)-2,3-dihydroisoindol-1-one
SMILESCN(C)c1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C10H12N2O/c1-12(2)8-4-3-7-6-11-10(13)9(7)5-8/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyBOJFFGSRCHOCNU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.00
Rot. Bonds1

About 6-(dimethylamino)-2,3-dihydroisoindol-1-one

6-(dimethylamino)-2,3-dihydroisoindol-1-one (PubChem CID 50941193) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-(dimethylamino)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-2,3-dihydroisoindol-1-one
PubChem CID50941193
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-(dimethylamino)-2,3-dihydroisoindol-1-one
SMILESCN(C)c1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C10H12N2O/c1-12(2)8-4-3-7-6-11-10(13)9(7)5-8/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyBOJFFGSRCHOCNU-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(dimethylamino)-2,3-dihydroisoindol-1-one (CID 50941193) is 6-(dimethylamino)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(dimethylamino)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(dimethylamino)-2,3-dihydroisoindol-1-one is CN(C)c1ccc2c(c1)C(=O)NC2.
What is the InChIKey of 6-(dimethylamino)-2,3-dihydroisoindol-1-one?
The InChIKey is BOJFFGSRCHOCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12(2)8-4-3-7-6-11-10(13)9(7)5-8/h3-5H,6H2,1-2H3,(H,11,13).
What are the key properties of 6-(dimethylamino)-2,3-dihydroisoindol-1-one?
6-(dimethylamino)-2,3-dihydroisoindol-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 50941193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).