4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one

C10H13ClN2O — CID 168688689

IUPAC4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1CCn1cccc1
InChIInChI=1S/C10H13ClN2O/c11-9-7-10(14)13(8-9)6-5-12-3-1-2-4-12/h1-4,9H,5-8H2
InChIKeyPOJUZXMMZBQEQJ-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.33
Rot. Bonds3

About 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one

4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one (PubChem CID 168688689) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one
PubChem CID168688689
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1CCn1cccc1
InChIInChI=1S/C10H13ClN2O/c11-9-7-10(14)13(8-9)6-5-12-3-1-2-4-12/h1-4,9H,5-8H2
InChIKeyPOJUZXMMZBQEQJ-UHFFFAOYSA-N
XLogP1.33
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.33
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

5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
4-chloro-1-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 168688623
4-chloro-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-2-one
CID 168688320
4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168687507
4-chloro-1-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168687879
4-chloro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
CID 168687323
4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168688552
4-chloro-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168688746
N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide
CID 168687350
1-[(2-bromophenyl)methyl]-4-chloropyrrolidin-2-one
CID 168688744

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one (CID 168688689) is 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one is O=C1CC(Cl)CN1CCn1cccc1.
What is the InChIKey of 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one?
The InChIKey is POJUZXMMZBQEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-7-10(14)13(8-9)6-5-12-3-1-2-4-12/h1-4,9H,5-8H2.
What are the key properties of 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one?
4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one has a molecular weight of 212.68 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168688689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).