1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide

C15H17BrN2O2 — CID 46704460

IUPAC1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Br)cc1N1CCC(C(=O)NC2CC2)C1=O
InChIInChI=1S/C15H17BrN2O2/c1-9-2-3-10(16)8-13(9)18-7-6-12(15(18)20)14(19)17-11-4-5-11/h2-3,8,11-12H,4-7H2,1H3,(H,17,19)
InChIKeyPWOGMPMNYQZBLX-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.39
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide

1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 46704460) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide
PubChem CID46704460
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Br)cc1N1CCC(C(=O)NC2CC2)C1=O
InChIInChI=1S/C15H17BrN2O2/c1-9-2-3-10(16)8-13(9)18-7-6-12(15(18)20)14(19)17-11-4-5-11/h2-3,8,11-12H,4-7H2,1H3,(H,17,19)
InChIKeyPWOGMPMNYQZBLX-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide (CID 46704460) is 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide is Cc1ccc(Br)cc1N1CCC(C(=O)NC2CC2)C1=O.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PWOGMPMNYQZBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-2-3-10(16)8-13(9)18-7-6-12(15(18)20)14(19)17-11-4-5-11/h2-3,8,11-12H,4-7H2,1H3,(H,17,19).
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide?
1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-cyclopropyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46704460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).