4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one

C11H13ClN2O — CID 168686908

IUPAC4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one
SMILESCC(c1cccnc1)N1CC(Cl)CC1=O
InChIInChI=1S/C11H13ClN2O/c1-8(9-3-2-4-13-6-9)14-7-10(12)5-11(14)15/h2-4,6,8,10H,5,7H2,1H3
InChIKeyRGKCHZLJTIXEDM-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.98
Rot. Bonds2

About 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one

4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one (PubChem CID 168686908) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one
PubChem CID168686908
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one
SMILESCC(c1cccnc1)N1CC(Cl)CC1=O
InChIInChI=1S/C11H13ClN2O/c1-8(9-3-2-4-13-6-9)14-7-10(12)5-11(14)15/h2-4,6,8,10H,5,7H2,1H3
InChIKeyRGKCHZLJTIXEDM-UHFFFAOYSA-N
XLogP1.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-[1-(3-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168686961
1-[1-(4-tert-butylphenyl)ethyl]-4-chloropyrrolidin-2-one
CID 168686900
1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64956135
4-(bromomethyl)-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one
CID 168503296
4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one
CID 168701544
1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731176
4-chloro-1-[phenyl(pyridin-2-yl)methyl]pyrrolidin-2-one
CID 168687083
4-chloro-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168686960
S-[5-oxo-1-(1-pyridin-3-ylpropyl)pyrrolidin-3-yl] ethanethioate
CID 168704368
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
4-methyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 103575296
5-oxo-1-(1-phenylethyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108770953

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one (CID 168686908) is 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one is CC(c1cccnc1)N1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one?
The InChIKey is RGKCHZLJTIXEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8(9-3-2-4-13-6-9)14-7-10(12)5-11(14)15/h2-4,6,8,10H,5,7H2,1H3.
What are the key properties of 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one?
4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168686908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).