1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione

C21H20N2O2 — CID 7087317

IUPAC1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
SMILESCc1c(C(=O)C(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2n1C
InChIInChI=1S/C21H20N2O2/c1-13-12-15-8-4-6-10-17(15)23(13)21(25)20(24)19-14(2)22(3)18-11-7-5-9-16(18)19/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeyQAZVLTJSXVSYIQ-ZDUSSCGKSA-N
MW332.40 g/mol
LogP3.65
Rot. Bonds2

About 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione

1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione (PubChem CID 7087317) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
PubChem CID7087317
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
SMILESCc1c(C(=O)C(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2n1C
InChIInChI=1S/C21H20N2O2/c1-13-12-15-8-4-6-10-17(15)23(13)21(25)20(24)19-14(2)22(3)18-11-7-5-9-16(18)19/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeyQAZVLTJSXVSYIQ-ZDUSSCGKSA-N
XLogP3.65
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7117347
2-methyl-N-(1-methylindol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 18582333
1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
CID 7087156
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
(2S)-N-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
CID 41429016
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione (CID 7087317) is 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione is Cc1c(C(=O)C(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione?
The InChIKey is QAZVLTJSXVSYIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-13-12-15-8-4-6-10-17(15)23(13)21(25)20(24)19-14(2)22(3)18-11-7-5-9-16(18)19/h4-11,13H,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione?
1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione has a molecular weight of 332.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione is sourced from PubChem (CID 7087317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).