1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone

C17H17NO — CID 116613024

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H17NO/c1-12-4-2-3-5-13(12)9-17(19)14-6-7-15-10-18-11-16(15)8-14/h2-8,18H,9-11H2,1H3
InChIKeyWXRCODGCNNCYRK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.02
Rot. Bonds3

About 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone

1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone (PubChem CID 116613024) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone
PubChem CID116613024
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H17NO/c1-12-4-2-3-5-13(12)9-17(19)14-6-7-15-10-18-11-16(15)8-14/h2-8,18H,9-11H2,1H3
InChIKeyWXRCODGCNNCYRK-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
2-(2,6-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609302
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
CID 116612892
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116613084
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116613118
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-isoindol-5-yl)ethanone
CID 116613117
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312
2-(3,5-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609213
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-isoindol-5-yl)ethanone
CID 106272807

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone (CID 116613024) is 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is WXRCODGCNNCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-4-2-3-5-13(12)9-17(19)14-6-7-15-10-18-11-16(15)8-14/h2-8,18H,9-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone?
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 116613024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).