1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one

C11H10Cl2N2O — CID 168686355

IUPAC1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C11H10Cl2N2O/c1-2-7-3-11(16)15(6-7)8-4-9(12)14-10(13)5-8/h2,4-5,7H,1,3,6H2
InChIKeyFMYALFSUIMBNFE-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.93
Rot. Bonds2

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

1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686355) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
PubChem CID168686355
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C11H10Cl2N2O/c1-2-7-3-11(16)15(6-7)8-4-9(12)14-10(13)5-8/h2,4-5,7H,1,3,6H2
InChIKeyFMYALFSUIMBNFE-UHFFFAOYSA-N
XLogP2.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.93
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-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168686308
1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-4-ethenylpyrrolidin-2-one
CID 168686598
5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168686322
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692144
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
methyl 3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684387
1-(3-bromo-6-chloropyrazin-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686615

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one (CID 168686355) is 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is FMYALFSUIMBNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-2-7-3-11(16)15(6-7)8-4-9(12)14-10(13)5-8/h2,4-5,7H,1,3,6H2.
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one?
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 257.12 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).