1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C19H20N2O — CID 7764901

IUPAC1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1CC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C19H20N2O/c1-14-10-15-6-4-5-9-18(15)21(14)13-19(22)20-11-16-7-2-3-8-17(16)12-20/h2-9,14H,10-13H2,1H3/t14-/m0/s1
InChIKeyAUOQVIMMMBHHTM-AWEZNQCLSA-N
MW292.38 g/mol
LogP2.98
Rot. Bonds2

About 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 7764901) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID7764901
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1CC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C19H20N2O/c1-14-10-15-6-4-5-9-18(15)21(14)13-19(22)20-11-16-7-2-3-8-17(16)12-20/h2-9,14H,10-13H2,1H3/t14-/m0/s1
InChIKeyAUOQVIMMMBHHTM-AWEZNQCLSA-N
XLogP2.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46555829
4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 7774495
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)but-2-enoic acid
CID 77006272
1-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 25329298
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
N-(3-methylbutan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 86908313
2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82582322
N-(ethylcarbamoyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 8685970
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200030

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 7764901) is 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@H]1Cc2ccccc2N1CC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is AUOQVIMMMBHHTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-10-15-6-4-5-9-18(15)21(14)13-19(22)20-11-16-7-2-3-8-17(16)12-20/h2-9,14H,10-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 7764901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).