1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one

C13H13NO2 — CID 88724658

IUPAC1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one
SMILESC#CCOc1ccccc1N1CCCC1=O
InChIInChI=1S/C13H13NO2/c1-2-10-16-12-7-4-3-6-11(12)14-9-5-8-13(14)15/h1,3-4,6-7H,5,8-10H2
InChIKeyTULZQGZLFUZFJF-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one

1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one (PubChem CID 88724658) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one
PubChem CID88724658
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one
SMILESC#CCOc1ccccc1N1CCCC1=O
InChIInChI=1S/C13H13NO2/c1-2-10-16-12-7-4-3-6-11(12)14-9-5-8-13(14)15/h1,3-4,6-7H,5,8-10H2
InChIKeyTULZQGZLFUZFJF-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.83
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

2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid
CID 63746544
1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
CID 88725731
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one
CID 167961634
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701
1-[2-(2,2-dimethoxyethyl)phenyl]pyrrolidin-2-one
CID 24790370
1-[2-(hydroxymethyl)phenyl]piperidin-2-one
CID 100933154
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-yne-1-sulfonamide
CID 7636079
2-(2-formylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41201936
1-[2-(4-hydroxybut-1-ynyl)phenyl]pyrrolidin-2-one
CID 60813162
3-(2-ethoxyphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 26955412
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one (CID 88724658) is 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one is C#CCOc1ccccc1N1CCCC1=O.
What is the InChIKey of 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one?
The InChIKey is TULZQGZLFUZFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-10-16-12-7-4-3-6-11(12)14-9-5-8-13(14)15/h1,3-4,6-7H,5,8-10H2.
What are the key properties of 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one?
1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 88724658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).