4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one

C12H22ClNO4 — CID 168687507

IUPAC4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
SMILESCCOCCOCCOCCN1CC(Cl)CC1=O
InChIInChI=1S/C12H22ClNO4/c1-2-16-5-6-18-8-7-17-4-3-14-10-11(13)9-12(14)15/h11H,2-10H2,1H3
InChIKeyGPYGGPYEXFLVEB-UHFFFAOYSA-N
MW279.76 g/mol
LogP0.90
Rot. Bonds10

About 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one

4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one (PubChem CID 168687507) has the molecular formula C12H22ClNO4 and a molecular weight of 279.76 g/mol. Its IUPAC name is 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
PubChem CID168687507
Molecular FormulaC12H22ClNO4
Molecular Weight279.76 g/mol
Exact Mass279.12
IUPAC Name4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
SMILESCCOCCOCCOCCN1CC(Cl)CC1=O
InChIInChI=1S/C12H22ClNO4/c1-2-16-5-6-18-8-7-17-4-3-14-10-11(13)9-12(14)15/h11H,2-10H2,1H3
InChIKeyGPYGGPYEXFLVEB-UHFFFAOYSA-N
XLogP0.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168508268
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250
4-chloro-1-(2-pyrrol-1-ylethyl)pyrrolidin-2-one
CID 168688689
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709349
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one
CID 79355454
4-chloro-1-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168687879
N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide
CID 168687350

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one (CID 168687507) is 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one is CCOCCOCCOCCN1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is GPYGGPYEXFLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO4/c1-2-16-5-6-18-8-7-17-4-3-14-10-11(13)9-12(14)15/h11H,2-10H2,1H3.
What are the key properties of 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 279.76 g/mol, XLogP of 0.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168687507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).