4-cyclopropylisoindole-1,3-dione

C11H9NO2 — CID 54298107

IUPAC4-cyclopropylisoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2C1CC1
InChIInChI=1S/C11H9NO2/c13-10-8-3-1-2-7(6-4-5-6)9(8)11(14)12-10/h1-3,6H,4-5H2,(H,12,13,14)
InChIKeyQTYSEGSANHQLOF-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.45
Rot. Bonds1

About 4-cyclopropylisoindole-1,3-dione

4-cyclopropylisoindole-1,3-dione (PubChem CID 54298107) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-cyclopropylisoindole-1,3-dione.

Molecular Properties

Compound Name4-cyclopropylisoindole-1,3-dione
PubChem CID54298107
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-cyclopropylisoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2C1CC1
InChIInChI=1S/C11H9NO2/c13-10-8-3-1-2-7(6-4-5-6)9(8)11(14)12-10/h1-3,6H,4-5H2,(H,12,13,14)
InChIKeyQTYSEGSANHQLOF-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclopropylisoindole-1,3-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

4-(1-benzylpiperidin-4-yl)isoindole-1,3-dione
CID 91150178
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 97303764
4-(1,3-dioxoisoindol-4-yl)sulfanylisoindole-1,3-dione
CID 21403125
hydrazine;4-hydroxyisoindole-1,3-dione
CID 172812376
4-(cyclobuten-1-yl)isoindole-1,3-dione
CID 158098721
4-[(dimethylamino)methyl]isoindole-1,3-dione
CID 18348298
2,6-dicyclopropylbenzoate
CID 140784122
4-pyridin-4-ylisoindole-1,3-dione
CID 152780944
4-nitroisoindole-1,3-dione
CID 11779
4-methylsulfinylisoindole-1,3-dione
CID 174315291
5-aminoisoquinoline-1,3,4-trione
CID 163708538
hydron;isoindole-1,3-dione
CID 174301362

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylisoindole-1,3-dione?
The IUPAC name of 4-cyclopropylisoindole-1,3-dione (CID 54298107) is 4-cyclopropylisoindole-1,3-dione.
What is the SMILES notation for 4-cyclopropylisoindole-1,3-dione?
The canonical SMILES for 4-cyclopropylisoindole-1,3-dione is O=C1NC(=O)c2c1cccc2C1CC1.
What is the InChIKey of 4-cyclopropylisoindole-1,3-dione?
The InChIKey is QTYSEGSANHQLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-8-3-1-2-7(6-4-5-6)9(8)11(14)12-10/h1-3,6H,4-5H2,(H,12,13,14).
What are the key properties of 4-cyclopropylisoindole-1,3-dione?
4-cyclopropylisoindole-1,3-dione has a molecular weight of 187.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylisoindole-1,3-dione is sourced from PubChem (CID 54298107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).