3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione

C15H17BrN2O2 — CID 43636577

IUPAC3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione
SMILESCc1cc(Br)cc(C)c1NC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C15H17BrN2O2/c1-8-5-10(16)6-9(2)14(8)17-12-7-13(19)18(15(12)20)11-3-4-11/h5-6,11-12,17H,3-4,7H2,1-2H3
InChIKeyFWIYACOMQQOPLZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.77
Rot. Bonds3

About 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione

3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 43636577) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID43636577
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione
SMILESCc1cc(Br)cc(C)c1NC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C15H17BrN2O2/c1-8-5-10(16)6-9(2)14(8)17-12-7-13(19)18(15(12)20)11-3-4-11/h5-6,11-12,17H,3-4,7H2,1-2H3
InChIKeyFWIYACOMQQOPLZ-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.77
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

CID 665257
CID 665257
CID 2523069
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CID 2966801
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CID 4789729
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CID 665145
CID 665145
CID 205250
CID 205250
CID 16308210
CID 16308210
CID 28228
CID 28228
CID 28234
CID 28234
CID 28235
CID 28235
CID 28375
CID 28375
CID 204835
CID 204835

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione (CID 43636577) is 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione is Cc1cc(Br)cc(C)c1NC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is FWIYACOMQQOPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-8-5-10(16)6-9(2)14(8)17-12-7-13(19)18(15(12)20)11-3-4-11/h5-6,11-12,17H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione?
3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 337.22 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dimethylanilino)-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).