2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone

C17H15NO3 — CID 2999350

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCc2ccccc21
InChIInChI=1S/C17H15NO3/c19-17(18-10-9-12-5-1-2-6-13(12)18)16-11-20-14-7-3-4-8-15(14)21-16/h1-8,16H,9-11H2
InChIKeyHTRUZSTXHHAFMA-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.42
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone

2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone (PubChem CID 2999350) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
PubChem CID2999350
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCc2ccccc21
InChIInChI=1S/C17H15NO3/c19-17(18-10-9-12-5-1-2-6-13(12)18)16-11-20-14-7-3-4-8-15(14)21-16/h1-8,16H,9-11H2
InChIKeyHTRUZSTXHHAFMA-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 3517094
1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8900102
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2122942
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123709048
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone
CID 95776799
1-(2,3-dihydroindol-1-yl)-2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 9157107
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111062
[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone
CID 20944994
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone (CID 2999350) is 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone is O=C(C1COc2ccccc2O1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone?
The InChIKey is HTRUZSTXHHAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(18-10-9-12-5-1-2-6-13(12)18)16-11-20-14-7-3-4-8-15(14)21-16/h1-8,16H,9-11H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone has a molecular weight of 281.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 2999350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).