5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one

C12H13NO2 — CID 72683265

IUPAC5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one
SMILESCC1(C)NC(=O)C(=Cc2ccccc2)O1
InChIInChI=1S/C12H13NO2/c1-12(2)13-11(14)10(15-12)8-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14)
InChIKeyKGSZNOQRAQHROV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.91
Rot. Bonds1

About 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one

5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one (PubChem CID 72683265) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one
PubChem CID72683265
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one
SMILESCC1(C)NC(=O)C(=Cc2ccccc2)O1
InChIInChI=1S/C12H13NO2/c1-12(2)13-11(14)10(15-12)8-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14)
InChIKeyKGSZNOQRAQHROV-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one?
The IUPAC name of 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one (CID 72683265) is 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one?
The canonical SMILES for 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one is CC1(C)NC(=O)C(=Cc2ccccc2)O1.
What is the InChIKey of 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one?
The InChIKey is KGSZNOQRAQHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)13-11(14)10(15-12)8-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14).
What are the key properties of 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one?
5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one has a molecular weight of 203.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-2,2-dimethyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 72683265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).