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

C15H17BrN2O2 — CID 106674883

IUPAC5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione
SMILESCC(NCCN1C(=O)c2ccc(Br)cc2C1=O)C1CC1
InChIInChI=1S/C15H17BrN2O2/c1-9(10-2-3-10)17-6-7-18-14(19)12-5-4-11(16)8-13(12)15(18)20/h4-5,8-10,17H,2-3,6-7H2,1H3
InChIKeyLWSWTYHRIOWDJT-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.43
Rot. Bonds5

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

5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione (PubChem CID 106674883) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione
PubChem CID106674883
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione
SMILESCC(NCCN1C(=O)c2ccc(Br)cc2C1=O)C1CC1
InChIInChI=1S/C15H17BrN2O2/c1-9(10-2-3-10)17-6-7-18-14(19)12-5-4-11(16)8-13(12)15(18)20/h4-5,8-10,17H,2-3,6-7H2,1H3
InChIKeyLWSWTYHRIOWDJT-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione (CID 106674883) is 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione is CC(NCCN1C(=O)c2ccc(Br)cc2C1=O)C1CC1.
What is the InChIKey of 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione?
The InChIKey is LWSWTYHRIOWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9(10-2-3-10)17-6-7-18-14(19)12-5-4-11(16)8-13(12)15(18)20/h4-5,8-10,17H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione?
5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione has a molecular weight of 337.22 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 106674883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).