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

C12H13NO2 — CID 68523529

IUPAC3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC=Cc1ccccc1
InChIInChI=1S/C12H13NO2/c14-12-13(9-10-15-12)8-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2
InChIKeyNCPSWHTZKMXYCJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.15
Rot. Bonds3

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

3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one (PubChem CID 68523529) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one
PubChem CID68523529
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC=Cc1ccccc1
InChIInChI=1S/C12H13NO2/c14-12-13(9-10-15-12)8-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2
InChIKeyNCPSWHTZKMXYCJ-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one (CID 68523529) is 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one is O=C1OCCN1CC=Cc1ccccc1.
What is the InChIKey of 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one?
The InChIKey is NCPSWHTZKMXYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12-13(9-10-15-12)8-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2.
What are the key properties of 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one?
3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68523529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).