4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one

C11H20ClNO3 — CID 168507422

IUPAC4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
SMILESCOCCOCCCN1CC(CCl)CC1=O
InChIInChI=1S/C11H20ClNO3/c1-15-5-6-16-4-2-3-13-9-10(8-12)7-11(13)14/h10H,2-9H2,1H3
InChIKeyCUUMFVUOTDELHZ-UHFFFAOYSA-N
MW249.74 g/mol
LogP1.13
Rot. Bonds8

About 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one

4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one (PubChem CID 168507422) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
PubChem CID168507422
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Name4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
SMILESCOCCOCCCN1CC(CCl)CC1=O
InChIInChI=1S/C11H20ClNO3/c1-15-5-6-16-4-2-3-13-9-10(8-12)7-11(13)14/h10H,2-9H2,1H3
InChIKeyCUUMFVUOTDELHZ-UHFFFAOYSA-N
XLogP1.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

S-[[1-[3-(2-methoxyethoxy)propyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666770
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168508268
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677
1-(3-aminopropyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508223
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
4-(chloromethyl)-1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 168506657
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 168507131

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one (CID 168507422) is 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one is COCCOCCCN1CC(CCl)CC1=O.
What is the InChIKey of 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one?
The InChIKey is CUUMFVUOTDELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3/c1-15-5-6-16-4-2-3-13-9-10(8-12)7-11(13)14/h10H,2-9H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one has a molecular weight of 249.74 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one is sourced from PubChem (CID 168507422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).