4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one

C12H12N2O — CID 168501383

IUPAC4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ncccc2C)C1
InChIInChI=1S/C12H12N2O/c1-3-10-7-11(15)14(8-10)12-9(2)5-4-6-13-12/h1,4-6,10H,7-8H2,2H3
InChIKeyUPCORWHFNLCAAP-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.38
Rot. Bonds1

About 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one

4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168501383) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168501383
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ncccc2C)C1
InChIInChI=1S/C12H12N2O/c1-3-10-7-11(15)14(8-10)12-9(2)5-4-6-13-12/h1,4-6,10H,7-8H2,2H3
InChIKeyUPCORWHFNLCAAP-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

4-ethynyl-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168501102
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354
1-(3-chloropyrazin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168503059
4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one
CID 168501377
4-ethynyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168501389
4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501135
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 168501466
4-ethynyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-2-one
CID 168501375
4-ethynyl-1-(2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168501380
4-ethynyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-one
CID 168501455
1-(3-methyl-2-pyridinyl)piperazin-2-one
CID 50987689

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one (CID 168501383) is 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one is C#CC1CC(=O)N(c2ncccc2C)C1.
What is the InChIKey of 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is UPCORWHFNLCAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-3-10-7-11(15)14(8-10)12-9(2)5-4-6-13-12/h1,4-6,10H,7-8H2,2H3.
What are the key properties of 4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one?
4-ethynyl-1-(3-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-(3-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168501383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).