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

C12H19NO4 — CID 168501624

IUPAC4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCOCCOCCO)C1
InChIInChI=1S/C12H19NO4/c1-2-11-9-12(15)13(10-11)3-5-16-7-8-17-6-4-14/h1,11,14H,3-10H2
InChIKeyJBWOASQMWUDYEE-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.51
Rot. Bonds8

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

4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one (PubChem CID 168501624) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
PubChem CID168501624
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCOCCOCCO)C1
InChIInChI=1S/C12H19NO4/c1-2-11-9-12(15)13(10-11)3-5-16-7-8-17-6-4-14/h1,11,14H,3-10H2
InChIKeyJBWOASQMWUDYEE-UHFFFAOYSA-N
XLogP-0.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168501623
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709349
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250
4-ethynyl-1-(2-phenylmethoxyethyl)pyrrolidin-2-one
CID 168501625
4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168508268
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501550

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one (CID 168501624) is 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one is C#CC1CC(=O)N(CCOCCOCCO)C1.
What is the InChIKey of 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is JBWOASQMWUDYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-11-9-12(15)13(10-11)3-5-16-7-8-17-6-4-14/h1,11,14H,3-10H2.
What are the key properties of 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one?
4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of -0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168501624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).