2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one

C20H21NO3 — CID 113197943

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCc2ccccc21)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO3/c1-20(2,15-7-8-17-18(13-15)24-12-11-23-17)19(22)21-10-9-14-5-3-4-6-16(14)21/h3-8,13H,9-12H2,1-2H3
InChIKeyZPMGHUGVWKWJCE-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.32
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one (PubChem CID 113197943) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one
PubChem CID113197943
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCc2ccccc21)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO3/c1-20(2,15-7-8-17-18(13-15)24-12-11-23-17)19(22)21-10-9-14-5-3-4-6-16(14)21/h3-8,13H,9-12H2,1-2H3
InChIKeyZPMGHUGVWKWJCE-UHFFFAOYSA-N
XLogP3.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 2708586
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 166210046
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192249
3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one
CID 63679943
6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline
CID 162153943
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 8852103
3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxo-N-(2,4,6-trimethylphenyl)propanamide
CID 108967644
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266119
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide
CID 129403449
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one
CID 113209001
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one (CID 113197943) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCc2ccccc21)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
The InChIKey is ZPMGHUGVWKWJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2,15-7-8-17-18(13-15)24-12-11-23-17)19(22)21-10-9-14-5-3-4-6-16(14)21/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one has a molecular weight of 323.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dihydroindol-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 113197943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).