5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione

C17H16N2O2 — CID 11778411

IUPAC5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
SMILESCC(C)c1ccccc1N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C17H16N2O2/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(18)9-14(13)17(19)21/h3-10H,18H2,1-2H3
InChIKeyBKUCREMIWGSIFG-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.19
Rot. Bonds2

About 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione

5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione (PubChem CID 11778411) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
PubChem CID11778411
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
SMILESCC(C)c1ccccc1N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C17H16N2O2/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(18)9-14(13)17(19)21/h3-10H,18H2,1-2H3
InChIKeyBKUCREMIWGSIFG-UHFFFAOYSA-N
XLogP3.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
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

5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
CID 28773180
2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione
CID 43653732
5-(4-aminophenyl)-2-[2-[2-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
CID 171043216
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
5-amino-2-(1,3-dimethylpyrazol-4-yl)isoindole-1,3-dione
CID 102805951
5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 166850578
5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 28773130
2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
CID 168518946
5-(4-aminophenyl)-2-[4-[4-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]-2,5-di(propan-2-yl)phenyl]sulfonyl-2-propan-2-ylphenyl]isoindole-1,3-dione
CID 171043357
2-[2,6-di(propan-2-yl)phenyl]-5-phenothiazin-10-ylisoindole-1,3-dione
CID 121248016
5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione
CID 107600970
5-amino-2-(4-bromo-2-ethylphenyl)isoindole-1,3-dione
CID 81289908

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione (CID 11778411) is 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione is CC(C)c1ccccc1N1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione?
The InChIKey is BKUCREMIWGSIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(18)9-14(13)17(19)21/h3-10H,18H2,1-2H3.
What are the key properties of 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione?
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 11778411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).