4-Aminophthalimide

C8H6N2O2 — CID 72915

IUPAC5-aminoisoindole-1,3-dione
SMILESC1=CC2=C(C=C1N)C(=O)NC2=O
InChIInChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12)
InChIKeyPXRKCOCTEMYUEG-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.50
Rot. Bonds

About 4-Aminophthalimide

4-Aminophthalimide (PubChem CID 72915) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-aminoisoindole-1,3-dione.

Molecular Properties

Compound Name4-Aminophthalimide
PubChem CID72915
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name5-aminoisoindole-1,3-dione
SMILESC1=CC2=C(C=C1N)C(=O)NC2=O
InChIInChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12)
InChIKeyPXRKCOCTEMYUEG-UHFFFAOYSA-N
XLogP0.50
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity239

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Nitro-N-methylphthalimide
CID 92321
4,5-Dianilinophthalimide
CID 1697
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
1H-Isoindole-1,3(2H)-dione, 4-amino-
CID 72914
4-Nitrophthalimide
CID 6969
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
2-(Phenylamino)-1H-isoindole-1,3(2H)-dione
CID 101246
2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione
CID 93297
N1-(1-oxo-2,3-dihydro-1H-inden-5-yl)acetamide
CID 312894
9-Amino-6H,11H-indeno[1,2-c]isoquinolin-5-one
CID 11288114
13-Amino-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-8-one
CID 11736764
5-(Dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
CID 25270867

Frequently Asked Questions

What is the IUPAC name of 4-Aminophthalimide?
The IUPAC name of 4-Aminophthalimide (CID 72915) is 5-aminoisoindole-1,3-dione.
What is the SMILES notation for 4-Aminophthalimide?
The canonical SMILES for 4-Aminophthalimide is C1=CC2=C(C=C1N)C(=O)NC2=O.
What is the InChIKey of 4-Aminophthalimide?
The InChIKey is PXRKCOCTEMYUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12).
What are the key properties of 4-Aminophthalimide?
4-Aminophthalimide has a molecular weight of 162.15 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Aminophthalimide is sourced from PubChem (CID 72915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).