4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one

C13H13NO2 — CID 168501377

IUPAC4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2c(C)cccc2O)C1
InChIInChI=1S/C13H13NO2/c1-3-10-7-12(16)14(8-10)13-9(2)5-4-6-11(13)15/h1,4-6,10,15H,7-8H2,2H3
InChIKeyOYGBSURTRMDUBL-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.69
Rot. Bonds1

About 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one

4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one (PubChem CID 168501377) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one
PubChem CID168501377
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2c(C)cccc2O)C1
InChIInChI=1S/C13H13NO2/c1-3-10-7-12(16)14(8-10)13-9(2)5-4-6-11(13)15/h1,4-6,10,15H,7-8H2,2H3
InChIKeyOYGBSURTRMDUBL-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354
4-ethynyl-1-(2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168501380
4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501383
4-ethynyl-1-(3-methyl-2-nitrophenyl)pyrrolidin-2-one
CID 168501375
1-(2-chloro-6-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168501997
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
1-(2,3-dimethyl-6-nitrophenyl)-4-ethynylpyrrolidin-2-one
CID 168501097
1-(3-amino-4-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501179
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-3-fluorobenzonitrile
CID 168501908
4-ethynyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 168500928
1-(5-chloro-2-hydroxyphenyl)-4-ethynylpyrrolidin-2-one
CID 168502101

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one (CID 168501377) is 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one is C#CC1CC(=O)N(c2c(C)cccc2O)C1.
What is the InChIKey of 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one?
The InChIKey is OYGBSURTRMDUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-10-7-12(16)14(8-10)13-9(2)5-4-6-11(13)15/h1,4-6,10,15H,7-8H2,2H3.
What are the key properties of 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one?
4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(2-hydroxy-6-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168501377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).