3,3-diethylimidazo[1,2-b]isoindole-2,5-dione

C14H14N2O2 — CID 657696

IUPAC3,3-diethylimidazo[1,2-b]isoindole-2,5-dione
SMILESCCC1(CC)C(=O)N=C2c3ccccc3C(=O)N21
InChIInChI=1S/C14H14N2O2/c1-3-14(4-2)13(18)15-11-9-7-5-6-8-10(9)12(17)16(11)14/h5-8H,3-4H2,1-2H3
InChIKeyIBBXRTAGWSQYKU-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.99
Rot. Bonds2

About 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione

3,3-diethylimidazo[1,2-b]isoindole-2,5-dione (PubChem CID 657696) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione.

Molecular Properties

Compound Name3,3-diethylimidazo[1,2-b]isoindole-2,5-dione
PubChem CID657696
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3,3-diethylimidazo[1,2-b]isoindole-2,5-dione
SMILESCCC1(CC)C(=O)N=C2c3ccccc3C(=O)N21
InChIInChI=1S/C14H14N2O2/c1-3-14(4-2)13(18)15-11-9-7-5-6-8-10(9)12(17)16(11)14/h5-8H,3-4H2,1-2H3
InChIKeyIBBXRTAGWSQYKU-UHFFFAOYSA-N
XLogP1.99
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione?
The IUPAC name of 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione (CID 657696) is 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione.
What is the SMILES notation for 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione?
The canonical SMILES for 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione is CCC1(CC)C(=O)N=C2c3ccccc3C(=O)N21.
What is the InChIKey of 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione?
The InChIKey is IBBXRTAGWSQYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-14(4-2)13(18)15-11-9-7-5-6-8-10(9)12(17)16(11)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione?
3,3-diethylimidazo[1,2-b]isoindole-2,5-dione has a molecular weight of 242.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylimidazo[1,2-b]isoindole-2,5-dione is sourced from PubChem (CID 657696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).