1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone

C16H13NO3 — CID 669591

IUPAC1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCc2ccccc21
InChIInChI=1S/C16H13NO3/c18-16(12-5-6-14-15(9-12)20-10-19-14)17-8-7-11-3-1-2-4-13(11)17/h1-6,9H,7-8,10H2
InChIKeyWQVWCNGGJFMCEF-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.62
Rot. Bonds1

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

1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone (PubChem CID 669591) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone
PubChem CID669591
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCc2ccccc21
InChIInChI=1S/C16H13NO3/c18-16(12-5-6-14-15(9-12)20-10-19-14)17-8-7-11-3-1-2-4-13(11)17/h1-6,9H,7-8,10H2
InChIKeyWQVWCNGGJFMCEF-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone (CID 669591) is 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc21.
What is the InChIKey of 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone?
The InChIKey is WQVWCNGGJFMCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-16(12-5-6-14-15(9-12)20-10-19-14)17-8-7-11-3-1-2-4-13(11)17/h1-6,9H,7-8,10H2.
What are the key properties of 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone?
1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone has a molecular weight of 267.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 669591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).