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

C16H11NO3 — CID 11129204

IUPAC1,3-benzodioxol-5-yl(indol-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)n1ccc2ccccc21
InChIInChI=1S/C16H11NO3/c18-16(12-5-6-14-15(9-12)20-10-19-14)17-8-7-11-3-1-2-4-13(11)17/h1-9H,10H2
InChIKeyNGEUOVBTYRBHQT-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.06
Rot. Bonds1

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

1,3-benzodioxol-5-yl(indol-1-yl)methanone (PubChem CID 11129204) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(indol-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(indol-1-yl)methanone
PubChem CID11129204
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name1,3-benzodioxol-5-yl(indol-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)n1ccc2ccccc21
InChIInChI=1S/C16H11NO3/c18-16(12-5-6-14-15(9-12)20-10-19-14)17-8-7-11-3-1-2-4-13(11)17/h1-9H,10H2
InChIKeyNGEUOVBTYRBHQT-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-indol-1-yl-4-oxobutanamide
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CID 162634923
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
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CID 75950258
1,3-benzodioxol-5-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110867078
1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione
CID 154718540
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 108544309
1,3-benzodioxol-5-yl-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108536588
[4-(2-aminobenzoyl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(indol-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl(indol-1-yl)methanone (CID 11129204) is 1,3-benzodioxol-5-yl(indol-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl(indol-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl(indol-1-yl)methanone is O=C(c1ccc2c(c1)OCO2)n1ccc2ccccc21.
What is the InChIKey of 1,3-benzodioxol-5-yl(indol-1-yl)methanone?
The InChIKey is NGEUOVBTYRBHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16(12-5-6-14-15(9-12)20-10-19-14)17-8-7-11-3-1-2-4-13(11)17/h1-9H,10H2.
What are the key properties of 1,3-benzodioxol-5-yl(indol-1-yl)methanone?
1,3-benzodioxol-5-yl(indol-1-yl)methanone has a molecular weight of 265.27 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(indol-1-yl)methanone is sourced from PubChem (CID 11129204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).