6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole

C16H15NO2 — CID 116698435

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1-c1ccc3c(c1)OCCO3)NCC2
InChIInChI=1S/C16H15NO2/c1-2-12(9-14-11(1)5-6-17-14)13-3-4-15-16(10-13)19-8-7-18-15/h1-4,9-10,17H,5-8H2
InChIKeyFPCFYICQSLKMPP-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.09
Rot. Bonds1

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole (PubChem CID 116698435) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
PubChem CID116698435
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1-c1ccc3c(c1)OCCO3)NCC2
InChIInChI=1S/C16H15NO2/c1-2-12(9-14-11(1)5-6-17-14)13-3-4-15-16(10-13)19-8-7-18-15/h1-4,9-10,17H,5-8H2
InChIKeyFPCFYICQSLKMPP-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole
CID 107293887
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
CID 116698615
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine
CID 70796354
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
CID 113382393
6-bromo-2,3-dihydro-1H-indole
CID 13098379
6-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 116698446
6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698588
6-(4-fluoronaphthalen-1-yl)-2,3-dihydro-1H-indole
CID 116698579

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole (CID 116698435) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole is c1cc2c(cc1-c1ccc3c(c1)OCCO3)NCC2.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole?
The InChIKey is FPCFYICQSLKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-12(9-14-11(1)5-6-17-14)13-3-4-15-16(10-13)19-8-7-18-15/h1-4,9-10,17H,5-8H2.
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole has a molecular weight of 253.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).