1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one

C15H17NO2 — CID 168500560

IUPAC1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(Cc2ccccc2OCC)C1
InChIInChI=1S/C15H17NO2/c1-3-12-9-15(17)16(10-12)11-13-7-5-6-8-14(13)18-4-2/h1,5-8,12H,4,9-11H2,2H3
InChIKeyMUUCUJGRUMZTJZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.07
Rot. Bonds4

About 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one

1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one (PubChem CID 168500560) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one
PubChem CID168500560
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(Cc2ccccc2OCC)C1
InChIInChI=1S/C15H17NO2/c1-3-12-9-15(17)16(10-12)11-13-7-5-6-8-14(13)18-4-2/h1,5-8,12H,4,9-11H2,2H3
InChIKeyMUUCUJGRUMZTJZ-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.07
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-chloro-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687525
1-[(2-ethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708283
4-ethynyl-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168501779
4-ethynyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168501874
4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one
CID 168501798
1-[2-(2-chlorophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501653
1-(2-ethoxy-4-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168500548
4-ethynyl-1-(isoquinolin-1-ylmethyl)pyrrolidin-2-one
CID 168501873
4-ethynyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
CID 168501804
1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 16641959
1-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22682759
4-ethynyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 168500349

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one (CID 168500560) is 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(Cc2ccccc2OCC)C1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one?
The InChIKey is MUUCUJGRUMZTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-12-9-15(17)16(10-12)11-13-7-5-6-8-14(13)18-4-2/h1,5-8,12H,4,9-11H2,2H3.
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one?
1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168500560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).