1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one

C14H15NO2 — CID 88725731

IUPAC1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
SMILESC#CC(C)Oc1ccccc1N1CCCC1=O
InChIInChI=1S/C14H15NO2/c1-3-11(2)17-13-8-5-4-7-12(13)15-10-6-9-14(15)16/h1,4-5,7-8,11H,6,9-10H2,2H3
InChIKeyZZYRNMUYCNEPFC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.21
Rot. Bonds3

About 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one

1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 88725731) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID88725731
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
SMILESC#CC(C)Oc1ccccc1N1CCCC1=O
InChIInChI=1S/C14H15NO2/c1-3-11(2)17-13-8-5-4-7-12(13)15-10-6-9-14(15)16/h1,4-5,7-8,11H,6,9-10H2,2H3
InChIKeyZZYRNMUYCNEPFC-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.21
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-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 88724658
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167
2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid
CID 63746544
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
1-[2-(2,2-dimethoxyethyl)phenyl]pyrrolidin-2-one
CID 24790370
1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one
CID 97119292
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70781583
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701
1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione
CID 117026343
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one (CID 88725731) is 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one is C#CC(C)Oc1ccccc1N1CCCC1=O.
What is the InChIKey of 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is ZZYRNMUYCNEPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-11(2)17-13-8-5-4-7-12(13)15-10-6-9-14(15)16/h1,4-5,7-8,11H,6,9-10H2,2H3.
What are the key properties of 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one?
1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 88725731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).