3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione

C13H11NO2 — CID 101465510

IUPAC3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione
SMILESCCC1C(=O)C=C2c3ccccc3C(=O)N21
InChIInChI=1S/C13H11NO2/c1-2-10-12(15)7-11-8-5-3-4-6-9(8)13(16)14(10)11/h3-7,10H,2H2,1H3
InChIKeyUHKKHPGSWXGKAD-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.84
Rot. Bonds1

About 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione

3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione (PubChem CID 101465510) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione
PubChem CID101465510
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione
SMILESCCC1C(=O)C=C2c3ccccc3C(=O)N21
InChIInChI=1S/C13H11NO2/c1-2-10-12(15)7-11-8-5-3-4-6-9(8)13(16)14(10)11/h3-7,10H,2H2,1H3
InChIKeyUHKKHPGSWXGKAD-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxyisoindole-1,3-dione;propane
CID 143899638
3-benzyl-1-methylsulfanyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione
CID 14323096
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione
CID 100993985
2-hydroxyisoindole-1,3-dione
CID 66775726
2-diethylphosphanylisoindole-1,3-dione
CID 23341095
2-ethylsulfonylisoindole-1,3-dione
CID 59677957
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-(6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)isoindole-1,3-dione
CID 76833123
butyl 3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidine-2-carboxylate
CID 70619212
2-[(2R,3S)-2-(aminomethyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 54142388
2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
CID 21405570

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione?
The IUPAC name of 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione (CID 101465510) is 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione.
What is the SMILES notation for 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione?
The canonical SMILES for 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione is CCC1C(=O)C=C2c3ccccc3C(=O)N21.
What is the InChIKey of 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione?
The InChIKey is UHKKHPGSWXGKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-2-10-12(15)7-11-8-5-3-4-6-9(8)13(16)14(10)11/h3-7,10H,2H2,1H3.
What are the key properties of 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione?
3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione has a molecular weight of 213.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3H-pyrrolo[1,2-b]isoindole-2,5-dione is sourced from PubChem (CID 101465510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).