1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione

C22H24N2O2 — CID 3096475

IUPAC1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
SMILESO=C(CCCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C22H24N2O2/c25-21(23-15-13-17-7-1-3-9-19(17)23)11-5-6-12-22(26)24-16-14-18-8-2-4-10-20(18)24/h1-4,7-10H,5-6,11-16H2
InChIKeyIPRIJLCGEYRKHY-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.73
Rot. Bonds5

About 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione

1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione (PubChem CID 3096475) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione.

Molecular Properties

Compound Name1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
PubChem CID3096475
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
SMILESO=C(CCCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C22H24N2O2/c25-21(23-15-13-17-7-1-3-9-19(17)23)11-5-6-12-22(26)24-16-14-18-8-2-4-10-20(18)24/h1-4,7-10H,5-6,11-16H2
InChIKeyIPRIJLCGEYRKHY-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione 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-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1,1,3,3-tetramethylguanidine
CID 111811004
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione?
The IUPAC name of 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione (CID 3096475) is 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione.
What is the SMILES notation for 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione?
The canonical SMILES for 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione is O=C(CCCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione?
The InChIKey is IPRIJLCGEYRKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(23-15-13-17-7-1-3-9-19(17)23)11-5-6-12-22(26)24-16-14-18-8-2-4-10-20(18)24/h1-4,7-10H,5-6,11-16H2.
What are the key properties of 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione?
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione has a molecular weight of 348.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione is sourced from PubChem (CID 3096475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).