1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one

C11H11N3O — CID 168502286

IUPAC1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc(N)cn2)C1
InChIInChI=1S/C11H11N3O/c1-2-8-5-11(15)14(7-8)10-4-3-9(12)6-13-10/h1,3-4,6,8H,5,7,12H2
InChIKeyMINFWJXKJZRFLT-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.65
Rot. Bonds1

About 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one

1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one (PubChem CID 168502286) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one
PubChem CID168502286
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc(N)cn2)C1
InChIInChI=1S/C11H11N3O/c1-2-8-5-11(15)14(7-8)10-4-3-9(12)6-13-10/h1,3-4,6,8H,5,7,12H2
InChIKeyMINFWJXKJZRFLT-UHFFFAOYSA-N
XLogP0.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501135
4-ethynyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168501389
1-(5-bromopyrimidin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168502516
4-ethynyl-1-(5-iodopyrimidin-2-yl)pyrrolidin-2-one
CID 168502519
1-(2-amino-6-chloropyrimidin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168502718
1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502280
1-[4-[(4-aminophenyl)methyl]phenyl]-4-ethynylpyrrolidin-2-one
CID 168502773
methyl 5-(4-ethynyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 168500771
7-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
CID 168502761
tert-butyl 4-[6-(4-ethynyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]piperazine-1-carboxylate
CID 168500241
1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502470
5-(4-ethynyl-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168502281

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one (CID 168502286) is 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(c2ccc(N)cn2)C1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one?
The InChIKey is MINFWJXKJZRFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-8-5-11(15)14(7-8)10-4-3-9(12)6-13-10/h1,3-4,6,8H,5,7,12H2.
What are the key properties of 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one?
1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one has a molecular weight of 201.23 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168502286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).