1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone

C20H22N2O — CID 73142226

IUPAC1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C20H22N2O/c1-14-11-16-7-3-5-9-18(16)21(14)13-20(23)22-15(2)12-17-8-4-6-10-19(17)22/h3-10,14-15H,11-13H2,1-2H3
InChIKeyXBPHWBJEQMXUMM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.42
Rot. Bonds2

About 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone

1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 73142226) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID73142226
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C20H22N2O/c1-14-11-16-7-3-5-9-18(16)21(14)13-20(23)22-15(2)12-17-8-4-6-10-19(17)22/h3-10,14-15H,11-13H2,1-2H3
InChIKeyXBPHWBJEQMXUMM-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7764901
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 73142226) is 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is XBPHWBJEQMXUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-11-16-7-3-5-9-18(16)21(14)13-20(23)22-15(2)12-17-8-4-6-10-19(17)22/h3-10,14-15H,11-13H2,1-2H3.
What are the key properties of 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone?
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 306.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 73142226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).