(4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one

C12H17NO2 — CID 71012702

IUPAC(4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one
SMILESC/C=c1/[nH]c(=O)o/c1=C/C=C/C(C)(C)C
InChIInChI=1S/C12H17NO2/c1-5-9-10(15-11(14)13-9)7-6-8-12(2,3)4/h5-8H,1-4H3,(H,13,14)/b8-6+,9-5+,10-7+
InChIKeyXJQVXSFOZJBBSE-PYJDZRBVSA-N
MW207.27 g/mol
LogP1.15
Rot. Bonds1

About (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one

(4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one (PubChem CID 71012702) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one
PubChem CID71012702
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one
SMILESC/C=c1/[nH]c(=O)o/c1=C/C=C/C(C)(C)C
InChIInChI=1S/C12H17NO2/c1-5-9-10(15-11(14)13-9)7-6-8-12(2,3)4/h5-8H,1-4H3,(H,13,14)/b8-6+,9-5+,10-7+
InChIKeyXJQVXSFOZJBBSE-PYJDZRBVSA-N
XLogP1.15
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one?
The IUPAC name of (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one (CID 71012702) is (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one?
The canonical SMILES for (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one is C/C=c1/[nH]c(=O)o/c1=C/C=C/C(C)(C)C.
What is the InChIKey of (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one?
The InChIKey is XJQVXSFOZJBBSE-PYJDZRBVSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-9-10(15-11(14)13-9)7-6-8-12(2,3)4/h5-8H,1-4H3,(H,13,14)/b8-6+,9-5+,10-7+.
What are the key properties of (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one?
(4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 71012702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).