1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone

C16H11NO3 — CID 43161266

IUPAC1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12
InChIInChI=1S/C16H11NO3/c18-16(10-5-6-14-15(7-10)20-9-19-14)12-8-17-13-4-2-1-3-11(12)13/h1-8,17H,9H2
InChIKeyJPEBKGPIVLFHHE-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.13
Rot. Bonds2

About 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone

1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone (PubChem CID 43161266) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
PubChem CID43161266
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12
InChIInChI=1S/C16H11NO3/c18-16(10-5-6-14-15(7-10)20-9-19-14)12-8-17-13-4-2-1-3-11(12)13/h1-8,17H,9H2
InChIKeyJPEBKGPIVLFHHE-UHFFFAOYSA-N
XLogP3.13
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110397351
2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone
CID 2989682
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 4856746
1-(1,3-benzodioxol-5-yl)-3-(1H-indole-3-carbonylamino)urea
CID 17270202
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
(3-aminophenyl)-(1H-indol-3-yl)methanone
CID 19024726
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(1H-indol-3-yl)ethanone
CID 7372799
ethyl 2-(1,3-benzodioxole-5-carbonyl)benzoate
CID 132515397
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
CID 7616079
methyl 2-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indol-3-yl)-3-oxopropanoate
CID 66747066
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8774768

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone (CID 43161266) is 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone is O=C(c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12.
What is the InChIKey of 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone?
The InChIKey is JPEBKGPIVLFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16(10-5-6-14-15(7-10)20-9-19-14)12-8-17-13-4-2-1-3-11(12)13/h1-8,17H,9H2.
What are the key properties of 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone?
1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone has a molecular weight of 265.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone is sourced from PubChem (CID 43161266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).