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

C10H16N2O — CID 168500489

IUPAC1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCNCC)C1
InChIInChI=1S/C10H16N2O/c1-3-9-7-10(13)12(8-9)6-5-11-4-2/h1,9,11H,4-8H2,2H3
InChIKeyACTADIJFDXVRSV-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.08
Rot. Bonds4

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

1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one (PubChem CID 168500489) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
PubChem CID168500489
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCNCC)C1
InChIInChI=1S/C10H16N2O/c1-3-9-7-10(13)12(8-9)6-5-11-4-2/h1,9,11H,4-8H2,2H3
InChIKeyACTADIJFDXVRSV-UHFFFAOYSA-N
XLogP0.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612
4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 168507131
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
1-[3-(diethylamino)propyl]-4-ethynylpyrrolidin-2-one
CID 168500476
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
CID 168500453
4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
CID 168501619
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
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168501623
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
CID 168500605
1-(2,2-dimethoxyethyl)-4-ethynylpyrrolidin-2-one
CID 168500673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one (CID 168500489) is 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(CCNCC)C1.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one?
The InChIKey is ACTADIJFDXVRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-9-7-10(13)12(8-9)6-5-11-4-2/h1,9,11H,4-8H2,2H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one?
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168500489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).