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

C19H16N2O2 — CID 7117347

IUPAC1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
SMILESC[C@H]1Cc2ccccc2N1C(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O2/c1-12-10-13-6-2-5-9-17(13)21(12)19(23)18(22)15-11-20-16-8-4-3-7-14(15)16/h2-9,11-12,20H,10H2,1H3/t12-/m0/s1
InChIKeyLNZLRABGDNXQEL-LBPRGKRZSA-N
MW304.35 g/mol
LogP3.33
Rot. Bonds2

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

1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione (PubChem CID 7117347) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
PubChem CID7117347
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
SMILESC[C@H]1Cc2ccccc2N1C(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O2/c1-12-10-13-6-2-5-9-17(13)21(12)19(23)18(22)15-11-20-16-8-4-3-7-14(15)16/h2-9,11-12,20H,10H2,1H3/t12-/m0/s1
InChIKeyLNZLRABGDNXQEL-LBPRGKRZSA-N
XLogP3.33
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione with MolForge

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Related Compounds

1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione
CID 113208523
1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7087317
(5R)-5-(1H-indol-3-ylmethyl)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2442754
2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113209348
1-(1H-indol-3-yl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55432355
2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113210272
2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 43083133
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 78738416
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione (CID 7117347) is 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione is C[C@H]1Cc2ccccc2N1C(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione?
The InChIKey is LNZLRABGDNXQEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-10-13-6-2-5-9-17(13)21(12)19(23)18(22)15-11-20-16-8-4-3-7-14(15)16/h2-9,11-12,20H,10H2,1H3/t12-/m0/s1.
What are the key properties of 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione?
1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione has a molecular weight of 304.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione is sourced from PubChem (CID 7117347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).