3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

C18H17NO3 — CID 16574667

IUPAC3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)OCO2)N1CCc2ccccc21
InChIInChI=1S/C18H17NO3/c20-18(19-10-9-14-3-1-2-4-15(14)19)8-6-13-5-7-16-17(11-13)22-12-21-16/h1-5,7,11H,6,8-10,12H2
InChIKeySGABDLNOQMRKDH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 16574667) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID16574667
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)OCO2)N1CCc2ccccc21
InChIInChI=1S/C18H17NO3/c20-18(19-10-9-14-3-1-2-4-15(14)19)8-6-13-5-7-16-17(11-13)22-12-21-16/h1-5,7,11H,6,8-10,12H2
InChIKeySGABDLNOQMRKDH-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 18121374
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111846397
2-(1,3-benzodioxol-5-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 162625550
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 8774784
N-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113178299
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 7123197
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258276
3-(1,3-benzodioxol-5-yl)-1-(4-benzoylpiperazin-1-yl)propan-1-one
CID 17479881
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 51842263
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 112537184

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 16574667) is 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is O=C(CCc1ccc2c(c1)OCO2)N1CCc2ccccc21.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is SGABDLNOQMRKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-18(19-10-9-14-3-1-2-4-15(14)19)8-6-13-5-7-16-17(11-13)22-12-21-16/h1-5,7,11H,6,8-10,12H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 295.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 16574667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).