4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one

C12H12N2O — CID 168501135

IUPAC4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc(C)cn2)C1
InChIInChI=1S/C12H12N2O/c1-3-10-6-12(15)14(8-10)11-5-4-9(2)7-13-11/h1,4-5,7,10H,6,8H2,2H3
InChIKeyKRHHCEYJLMEMKC-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.38
Rot. Bonds1

About 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one

4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168501135) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168501135
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc(C)cn2)C1
InChIInChI=1S/C12H12N2O/c1-3-10-6-12(15)14(8-10)11-5-4-9(2)7-13-11/h1,4-5,7,10H,6,8H2,2H3
InChIKeyKRHHCEYJLMEMKC-UHFFFAOYSA-N
XLogP1.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502286
4-ethynyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168501389
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168504458
methyl 5-(4-ethynyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 168500771
tert-butyl 4-[6-(4-ethynyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]piperazine-1-carboxylate
CID 168500241
6-methyl-4-(5-methyl-2-pyridinyl)morpholin-3-one
CID 123331755
4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501383
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354
4-ethynyl-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168501130
1-(5-bromopyrimidin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168502516
4-ethynyl-1-(5-iodopyrimidin-2-yl)pyrrolidin-2-one
CID 168502519

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one (CID 168501135) is 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one is C#CC1CC(=O)N(c2ccc(C)cn2)C1.
What is the InChIKey of 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is KRHHCEYJLMEMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-3-10-6-12(15)14(8-10)11-5-4-9(2)7-13-11/h1,4-5,7,10H,6,8H2,2H3.
What are the key properties of 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one?
4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168501135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).