4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one

C11H20ClNO4 — CID 168508268

IUPAC4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCOCCOCCO
InChIInChI=1S/C11H20ClNO4/c12-8-10-7-11(15)13(9-10)1-3-16-5-6-17-4-2-14/h10,14H,1-9H2
InChIKeyAOPXUETVXUTCOT-UHFFFAOYSA-N
MW265.74 g/mol
LogP0.10
Rot. Bonds9

About 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one

4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one (PubChem CID 168508268) has the molecular formula C11H20ClNO4 and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
PubChem CID168508268
Molecular FormulaC11H20ClNO4
Molecular Weight265.74 g/mol
Exact Mass265.11
IUPAC Name4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCOCCOCCO
InChIInChI=1S/C11H20ClNO4/c12-8-10-7-11(15)13(9-10)1-3-16-5-6-17-4-2-14/h10,14H,1-9H2
InChIKeyAOPXUETVXUTCOT-UHFFFAOYSA-N
XLogP0.10
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 50.10
H-Bond Donors ≤ 51
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

4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709349
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168501624
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
1-(3-aminopropyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508223
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
1-[2-(2-aminoethoxy)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670942
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249
4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168687507

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one (CID 168508268) is 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one is O=C1CC(CCl)CN1CCOCCOCCO.
What is the InChIKey of 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is AOPXUETVXUTCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO4/c12-8-10-7-11(15)13(9-10)1-3-16-5-6-17-4-2-14/h10,14H,1-9H2.
What are the key properties of 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 265.74 g/mol, XLogP of 0.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168508268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).