1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one

C11H10Br2N2O — CID 168686161

IUPAC1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(Br)c(Br)n2)C1
InChIInChI=1S/C11H10Br2N2O/c1-2-7-5-10(16)15(6-7)9-4-3-8(12)11(13)14-9/h2-4,7H,1,5-6H2
InChIKeyMPJQTMNFUFHZPX-UHFFFAOYSA-N
MW346.02 g/mol
LogP3.15
Rot. Bonds2

About 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one

1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686161) has the molecular formula C11H10Br2N2O and a molecular weight of 346.02 g/mol. Its IUPAC name is 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
PubChem CID168686161
Molecular FormulaC11H10Br2N2O
Molecular Weight346.02 g/mol
Exact Mass343.92
IUPAC Name1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(Br)c(Br)n2)C1
InChIInChI=1S/C11H10Br2N2O/c1-2-7-5-10(16)15(6-7)9-4-3-8(12)11(13)14-9/h2-4,7H,1,5-6H2
InChIKeyMPJQTMNFUFHZPX-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685937
4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168684859
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one
CID 168685715
1-(2-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684750
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686184
1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686679
4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168685936
1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684957
1-(2-bromo-4-methyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684837
1-(3-bromo-6-chloropyrazin-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686615
[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
CID 168686660

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one (CID 168686161) is 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(Br)c(Br)n2)C1.
What is the InChIKey of 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is MPJQTMNFUFHZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O/c1-2-7-5-10(16)15(6-7)9-4-3-8(12)11(13)14-9/h2-4,7H,1,5-6H2.
What are the key properties of 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 346.02 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).