1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione

C21H22N2O2 — CID 743014

IUPAC1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C21H22N2O2/c24-20(22-14-12-16-6-1-3-8-18(16)22)10-5-11-21(25)23-15-13-17-7-2-4-9-19(17)23/h1-4,6-9H,5,10-15H2
InChIKeyRAEWNGATKVTQCU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.34
Rot. Bonds4

About 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione

1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione (PubChem CID 743014) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione
PubChem CID743014
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C21H22N2O2/c24-20(22-14-12-16-6-1-3-8-18(16)22)10-5-11-21(25)23-15-13-17-7-2-4-9-19(17)23/h1-4,6-9H,5,10-15H2
InChIKeyRAEWNGATKVTQCU-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione?
The IUPAC name of 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione (CID 743014) is 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione?
The canonical SMILES for 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione is O=C(CCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione?
The InChIKey is RAEWNGATKVTQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(22-14-12-16-6-1-3-8-18(16)22)10-5-11-21(25)23-15-13-17-7-2-4-9-19(17)23/h1-4,6-9H,5,10-15H2.
What are the key properties of 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione?
1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione has a molecular weight of 334.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,3-dihydroindol-1-yl)pentane-1,5-dione is sourced from PubChem (CID 743014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).