(4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one

C12H15NO2 — CID 174164698

IUPAC(4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one
SMILESC=C/C=C(\C=c1\[nH]c(=O)oc1=C)C(C)C
InChIInChI=1S/C12H15NO2/c1-5-6-10(8(2)3)7-11-9(4)15-12(14)13-11/h5-8H,1,4H2,2-3H3,(H,13,14)/b10-6+,11-7+
InChIKeyLLVCGEWEKNMEMS-JMQWPVDRSA-N
MW205.26 g/mol
LogP0.93
Rot. Bonds3

About (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one

(4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one (PubChem CID 174164698) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one
PubChem CID174164698
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one
SMILESC=C/C=C(\C=c1\[nH]c(=O)oc1=C)C(C)C
InChIInChI=1S/C12H15NO2/c1-5-6-10(8(2)3)7-11-9(4)15-12(14)13-11/h5-8H,1,4H2,2-3H3,(H,13,14)/b10-6+,11-7+
InChIKeyLLVCGEWEKNMEMS-JMQWPVDRSA-N
XLogP0.93
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one?
The IUPAC name of (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one (CID 174164698) is (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one?
The canonical SMILES for (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one is C=C/C=C(\C=c1\[nH]c(=O)oc1=C)C(C)C.
What is the InChIKey of (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one?
The InChIKey is LLVCGEWEKNMEMS-JMQWPVDRSA-N. The full InChI is InChI=1S/C12H15NO2/c1-5-6-10(8(2)3)7-11-9(4)15-12(14)13-11/h5-8H,1,4H2,2-3H3,(H,13,14)/b10-6+,11-7+.
What are the key properties of (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one?
(4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-4-[(2Z)-2-propan-2-ylpenta-2,4-dienylidene]-1,3-oxazolidin-2-one is sourced from PubChem (CID 174164698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).