3-(2-acetylphenoxy)pyrrolidin-2-one

C12H13NO3 — CID 117051792

IUPAC3-(2-acetylphenoxy)pyrrolidin-2-one
SMILESCC(=O)c1ccccc1OC1CCNC1=O
InChIInChI=1S/C12H13NO3/c1-8(14)9-4-2-3-5-10(9)16-11-6-7-13-12(11)15/h2-5,11H,6-7H2,1H3,(H,13,15)
InChIKeyICCRLSBIBAEEDT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.16
Rot. Bonds3

About 3-(2-acetylphenoxy)pyrrolidin-2-one

3-(2-acetylphenoxy)pyrrolidin-2-one (PubChem CID 117051792) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2-acetylphenoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-acetylphenoxy)pyrrolidin-2-one
PubChem CID117051792
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(2-acetylphenoxy)pyrrolidin-2-one
SMILESCC(=O)c1ccccc1OC1CCNC1=O
InChIInChI=1S/C12H13NO3/c1-8(14)9-4-2-3-5-10(9)16-11-6-7-13-12(11)15/h2-5,11H,6-7H2,1H3,(H,13,15)
InChIKeyICCRLSBIBAEEDT-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylphenoxy)pyrrolidin-2-one?
The IUPAC name of 3-(2-acetylphenoxy)pyrrolidin-2-one (CID 117051792) is 3-(2-acetylphenoxy)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-acetylphenoxy)pyrrolidin-2-one?
The canonical SMILES for 3-(2-acetylphenoxy)pyrrolidin-2-one is CC(=O)c1ccccc1OC1CCNC1=O.
What is the InChIKey of 3-(2-acetylphenoxy)pyrrolidin-2-one?
The InChIKey is ICCRLSBIBAEEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)9-4-2-3-5-10(9)16-11-6-7-13-12(11)15/h2-5,11H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-(2-acetylphenoxy)pyrrolidin-2-one?
3-(2-acetylphenoxy)pyrrolidin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylphenoxy)pyrrolidin-2-one is sourced from PubChem (CID 117051792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).