1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one

C12H20N2O3 — CID 168501623

IUPAC1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCOCCOCCN)C1
InChIInChI=1S/C12H20N2O3/c1-2-11-9-12(15)14(10-11)4-6-17-8-7-16-5-3-13/h1,11H,3-10,13H2
InChIKeyCQECQPCHORWBQS-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.54
Rot. Bonds8

About 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one

1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one (PubChem CID 168501623) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
PubChem CID168501623
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCOCCOCCN)C1
InChIInChI=1S/C12H20N2O3/c1-2-11-9-12(15)14(10-11)4-6-17-8-7-16-5-3-13/h1,11H,3-10,13H2
InChIKeyCQECQPCHORWBQS-UHFFFAOYSA-N
XLogP-0.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.54
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-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168501624
4-ethynyl-1-(2-phenylmethoxyethyl)pyrrolidin-2-one
CID 168501625
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718184
1-[2-(2-aminoethoxy)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670942
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501550
4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one
CID 168683838
1-(2,2-dimethoxyethyl)-4-ethynylpyrrolidin-2-one
CID 168500673

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one (CID 168501623) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(CCOCCOCCN)C1.
What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one?
The InChIKey is CQECQPCHORWBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-11-9-12(15)14(10-11)4-6-17-8-7-16-5-3-13/h1,11H,3-10,13H2.
What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one?
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one has a molecular weight of 240.30 g/mol, XLogP of -0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168501623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).