3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

C12H11NO3 — CID 677095

IUPAC3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H11NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2/b7-6+
InChIKeyMZFIOCKXBSMAKY-VOTSOKGWSA-N
MW217.22 g/mol
LogP1.68
Rot. Bonds2

About 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 677095) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID677095
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H11NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2/b7-6+
InChIKeyMZFIOCKXBSMAKY-VOTSOKGWSA-N
XLogP1.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (CID 677095) is 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is MZFIOCKXBSMAKY-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2/b7-6+.
What are the key properties of 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 677095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).