4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one

C11H14ClN3O — CID 168687595

IUPAC4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
SMILESCN(C)c1ncccc1N1CC(Cl)CC1=O
InChIInChI=1S/C11H14ClN3O/c1-14(2)11-9(4-3-5-13-11)15-7-8(12)6-10(15)16/h3-5,8H,6-7H2,1-2H3
InChIKeyRUVYUJXJVKJHFI-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.49
Rot. Bonds2

About 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one

4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one (PubChem CID 168687595) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
PubChem CID168687595
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
SMILESCN(C)c1ncccc1N1CC(Cl)CC1=O
InChIInChI=1S/C11H14ClN3O/c1-14(2)11-9(4-3-5-13-11)15-7-8(12)6-10(15)16/h3-5,8H,6-7H2,1-2H3
InChIKeyRUVYUJXJVKJHFI-UHFFFAOYSA-N
XLogP1.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
4-chloro-1-quinolin-5-ylpyrrolidin-2-one
CID 168689584
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one
CID 168687900
2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 168687576
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168687930
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55691905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one (CID 168687595) is 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one is CN(C)c1ncccc1N1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is RUVYUJXJVKJHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-14(2)11-9(4-3-5-13-11)15-7-8(12)6-10(15)16/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one?
4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 168687595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).