1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one

C10H17N3O — CID 168501612

IUPAC1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCNCCN)C1
InChIInChI=1S/C10H17N3O/c1-2-9-7-10(14)13(8-9)6-5-12-4-3-11/h1,9,12H,3-8,11H2
InChIKeyHYRASEBYPVUFFP-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.98
Rot. Bonds5

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

1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one (PubChem CID 168501612) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
PubChem CID168501612
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCNCCN)C1
InChIInChI=1S/C10H17N3O/c1-2-9-7-10(14)13(8-9)6-5-12-4-3-11/h1,9,12H,3-8,11H2
InChIKeyHYRASEBYPVUFFP-UHFFFAOYSA-N
XLogP-0.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168501623
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
1-[2-[3-(2-aminoethylamino)propylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714844
1-[3-(diethylamino)propyl]-4-ethynylpyrrolidin-2-one
CID 168500476
[1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676444
4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
CID 168501619
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501550
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
1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 168697217

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one (CID 168501612) is 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(CCNCCN)C1.
What is the InChIKey of 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one?
The InChIKey is HYRASEBYPVUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9-7-10(14)13(8-9)6-5-12-4-3-11/h1,9,12H,3-8,11H2.
What are the key properties of 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one?
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one has a molecular weight of 195.27 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168501612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).