(5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole

C10H11NO — CID 152998854

IUPAC(5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole
SMILESC=C/C=C\C=c1\onc(C)c1=C
InChIInChI=1S/C10H11NO/c1-4-5-6-7-10-8(2)9(3)11-12-10/h4-7H,1-2H2,3H3/b6-5-,10-7+
InChIKeyUXTMONYLTKNSFI-ZZWPSLBBSA-N
MW161.20 g/mol
LogP0.92
Rot. Bonds2

About (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole

(5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole (PubChem CID 152998854) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole.

Molecular Properties

Compound Name(5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole
PubChem CID152998854
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole
SMILESC=C/C=C\C=c1\onc(C)c1=C
InChIInChI=1S/C10H11NO/c1-4-5-6-7-10-8(2)9(3)11-12-10/h4-7H,1-2H2,3H3/b6-5-,10-7+
InChIKeyUXTMONYLTKNSFI-ZZWPSLBBSA-N
XLogP0.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
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 (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole?
The IUPAC name of (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole (CID 152998854) is (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole.
What is the SMILES notation for (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole?
The canonical SMILES for (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole is C=C/C=C\C=c1\onc(C)c1=C.
What is the InChIKey of (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole?
The InChIKey is UXTMONYLTKNSFI-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H11NO/c1-4-5-6-7-10-8(2)9(3)11-12-10/h4-7H,1-2H2,3H3/b6-5-,10-7+.
What are the key properties of (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole?
(5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole is sourced from PubChem (CID 152998854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).