1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one

C15H21BrN2O2 — CID 104511967

IUPAC1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCCCn1cc(Br)cc1C(=O)N1CC(C(C)C)CC1=O
InChIInChI=1S/C15H21BrN2O2/c1-4-5-17-9-12(16)7-13(17)15(20)18-8-11(10(2)3)6-14(18)19/h7,9-11H,4-6,8H2,1-3H3
InChIKeyAWLORPLALFXWAN-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one

1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511967) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511967
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCCCn1cc(Br)cc1C(=O)N1CC(C(C)C)CC1=O
InChIInChI=1S/C15H21BrN2O2/c1-4-5-17-9-12(16)7-13(17)15(20)18-8-11(10(2)3)6-14(18)19/h7,9-11H,4-6,8H2,1-3H3
InChIKeyAWLORPLALFXWAN-UHFFFAOYSA-N
XLogP3.31
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
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 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one (CID 104511967) is 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one is CCCn1cc(Br)cc1C(=O)N1CC(C(C)C)CC1=O.
What is the InChIKey of 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is AWLORPLALFXWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-4-5-17-9-12(16)7-13(17)15(20)18-8-11(10(2)3)6-14(18)19/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one?
1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 341.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).