4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one

C13H15NO2 — CID 2754378

IUPAC4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one
SMILESCC(C)C=C1NC(c2ccccc2)OC1=O
InChIInChI=1S/C13H15NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9,12,14H,1-2H3
InChIKeyGFCWYYFWAQGXPR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.37
Rot. Bonds2

About 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one

4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one (PubChem CID 2754378) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one
PubChem CID2754378
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one
SMILESCC(C)C=C1NC(c2ccccc2)OC1=O
InChIInChI=1S/C13H15NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9,12,14H,1-2H3
InChIKeyGFCWYYFWAQGXPR-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one?
The IUPAC name of 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one (CID 2754378) is 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one?
The canonical SMILES for 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one is CC(C)C=C1NC(c2ccccc2)OC1=O.
What is the InChIKey of 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one?
The InChIKey is GFCWYYFWAQGXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9,12,14H,1-2H3.
What are the key properties of 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one?
4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one has a molecular weight of 217.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 2754378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).