5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione

C13H13BrN2O2 — CID 62664321

IUPAC5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1CCNC1CC1
InChIInChI=1S/C13H13BrN2O2/c14-8-1-4-10-11(7-8)13(18)16(12(10)17)6-5-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2
InChIKeyDAALPNRURAMAFI-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.80
Rot. Bonds4

About 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione

5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione (PubChem CID 62664321) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione
PubChem CID62664321
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1CCNC1CC1
InChIInChI=1S/C13H13BrN2O2/c14-8-1-4-10-11(7-8)13(18)16(12(10)17)6-5-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2
InChIKeyDAALPNRURAMAFI-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione
CID 106674883
5-bromo-1-[3-(cyclopropylamino)propyl]indole-2,3-dione
CID 61387405
5-bromo-2-[3-(methylamino)propyl]isoindole-1,3-dione
CID 61351323
5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione
CID 106674920
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
CID 36597584
2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione
CID 103430945
5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione
CID 106674885
3-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]-N-cyclopropyl-4-methylbenzamide
CID 55786390
1-[2-(cyclopropylamino)ethyl]-6,7-dimethylindole-2,3-dione
CID 61387778
5-bromo-2-(2-piperidin-3-ylethyl)isoindole-1,3-dione
CID 63629916
5-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 61017162
1-[2-(cyclopropylamino)ethyl]-5,6-difluoroindole-2,3-dione
CID 80758317

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione (CID 62664321) is 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1CCNC1CC1.
What is the InChIKey of 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione?
The InChIKey is DAALPNRURAMAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-8-1-4-10-11(7-8)13(18)16(12(10)17)6-5-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2.
What are the key properties of 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione?
5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione has a molecular weight of 309.16 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 62664321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).