3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one

C12H9NO3 — CID 10560618

IUPAC3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one
SMILESO=C(C#Cc1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H9NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2
InChIKeyMLJVYLJCERPHAM-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.02
Rot. Bonds

About 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one

3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one (PubChem CID 10560618) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one
PubChem CID10560618
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one
SMILESO=C(C#Cc1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H9NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2
InChIKeyMLJVYLJCERPHAM-UHFFFAOYSA-N
XLogP1.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one (CID 10560618) is 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one is O=C(C#Cc1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one?
The InChIKey is MLJVYLJCERPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2.
What are the key properties of 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one?
3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one has a molecular weight of 215.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10560618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).