3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

C13H13NO4 — CID 71615334

IUPAC3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C(=O)N1CCOC1=O)c1ccccc1OC
InChIInChI=1S/C13H13NO4/c1-9(10-5-3-4-6-11(10)17-2)12(15)14-7-8-18-13(14)16/h3-6H,1,7-8H2,2H3
InChIKeySHQMJJOLDSQFFY-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.69
Rot. Bonds3

About 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 71615334) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID71615334
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C(=O)N1CCOC1=O)c1ccccc1OC
InChIInChI=1S/C13H13NO4/c1-9(10-5-3-4-6-11(10)17-2)12(15)14-7-8-18-13(14)16/h3-6H,1,7-8H2,2H3
InChIKeySHQMJJOLDSQFFY-UHFFFAOYSA-N
XLogP1.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 71615334) is 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is C=C(C(=O)N1CCOC1=O)c1ccccc1OC.
What is the InChIKey of 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is SHQMJJOLDSQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-9(10-5-3-4-6-11(10)17-2)12(15)14-7-8-18-13(14)16/h3-6H,1,7-8H2,2H3.
What are the key properties of 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 247.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71615334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).