4-(cyclobuten-1-yl)isoindole-1,3-dione

C12H9NO2 — CID 158098721

IUPAC4-(cyclobuten-1-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2C1=CCC1
InChIInChI=1S/C12H9NO2/c14-11-9-6-2-5-8(7-3-1-4-7)10(9)12(15)13-11/h2-3,5-6H,1,4H2,(H,13,14,15)
InChIKeyFOZIWFGUVZTUSM-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.75
Rot. Bonds1

About 4-(cyclobuten-1-yl)isoindole-1,3-dione

4-(cyclobuten-1-yl)isoindole-1,3-dione (PubChem CID 158098721) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(cyclobuten-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(cyclobuten-1-yl)isoindole-1,3-dione
PubChem CID158098721
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name4-(cyclobuten-1-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2C1=CCC1
InChIInChI=1S/C12H9NO2/c14-11-9-6-2-5-8(7-3-1-4-7)10(9)12(15)13-11/h2-3,5-6H,1,4H2,(H,13,14,15)
InChIKeyFOZIWFGUVZTUSM-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(cyclohexen-1-yl)phenyl]isoindole-1,3-dione
CID 138377141
4-pyridin-4-ylisoindole-1,3-dione
CID 152780944
4-(1,3-dioxoisoindol-4-yl)sulfanylisoindole-1,3-dione
CID 21403125
hydrazine;4-hydroxyisoindole-1,3-dione
CID 172812376
4-cyclopropylisoindole-1,3-dione
CID 54298107
4-[(5E,7Z)-4H-1,3,2-dioxaphosphocin-6-yl]isoindole-1,3-dione
CID 139644569
4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione
CID 142702251
4-nitroisoindole-1,3-dione
CID 11779
4-methylsulfinylisoindole-1,3-dione
CID 174315291
5-aminoisoquinoline-1,3,4-trione
CID 163708538
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 97303764
piperidine-2,6-dione;4-propan-2-ylisoindole-1,3-dione
CID 155707467

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobuten-1-yl)isoindole-1,3-dione?
The IUPAC name of 4-(cyclobuten-1-yl)isoindole-1,3-dione (CID 158098721) is 4-(cyclobuten-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(cyclobuten-1-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(cyclobuten-1-yl)isoindole-1,3-dione is O=C1NC(=O)c2c1cccc2C1=CCC1.
What is the InChIKey of 4-(cyclobuten-1-yl)isoindole-1,3-dione?
The InChIKey is FOZIWFGUVZTUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-11-9-6-2-5-8(7-3-1-4-7)10(9)12(15)13-11/h2-3,5-6H,1,4H2,(H,13,14,15).
What are the key properties of 4-(cyclobuten-1-yl)isoindole-1,3-dione?
4-(cyclobuten-1-yl)isoindole-1,3-dione has a molecular weight of 199.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobuten-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 158098721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).