5-bromo-2-(2-methylpropyl)isoindole-1,3-dione

C12H12BrNO2 — CID 840420

IUPAC5-bromo-2-(2-methylpropyl)isoindole-1,3-dione
SMILESCC(C)CN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C12H12BrNO2/c1-7(2)6-14-11(15)9-4-3-8(13)5-10(9)12(14)16/h3-5,7H,6H2,1-2H3
InChIKeyWTPRIVSTPSNYJN-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.70
Rot. Bonds2

About 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione

5-bromo-2-(2-methylpropyl)isoindole-1,3-dione (PubChem CID 840420) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropyl)isoindole-1,3-dione
PubChem CID840420
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name5-bromo-2-(2-methylpropyl)isoindole-1,3-dione
SMILESCC(C)CN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C12H12BrNO2/c1-7(2)6-14-11(15)9-4-3-8(13)5-10(9)12(14)16/h3-5,7H,6H2,1-2H3
InChIKeyWTPRIVSTPSNYJN-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methylphthalimide
CID 11074
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
Phthalimidoacetone
CID 235046
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CID 95380
5-Bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CID 44435680
2-(3-bromo-2-oxopropyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 222037

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione (CID 840420) is 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione is CC(C)CN1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione?
The InChIKey is WTPRIVSTPSNYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-7(2)6-14-11(15)9-4-3-8(13)5-10(9)12(14)16/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione?
5-bromo-2-(2-methylpropyl)isoindole-1,3-dione has a molecular weight of 282.14 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 840420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).