(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole

C8H9NO — CID 156867767

IUPAC(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole
SMILESC=C/C(C)=c1/ocnc1=C
InChIInChI=1S/C8H9NO/c1-4-6(2)8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-6+
InChIKeyKQQVVZFHGVCNTK-SOFGYWHQSA-N
MW135.17 g/mol
LogP0.44
Rot. Bonds1

About (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole

(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole (PubChem CID 156867767) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole.

Molecular Properties

Compound Name(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole
PubChem CID156867767
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole
SMILESC=C/C(C)=c1/ocnc1=C
InChIInChI=1S/C8H9NO/c1-4-6(2)8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-6+
InChIKeyKQQVVZFHGVCNTK-SOFGYWHQSA-N
XLogP0.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole?
The IUPAC name of (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole (CID 156867767) is (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole.
What is the SMILES notation for (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole?
The canonical SMILES for (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole is C=C/C(C)=c1/ocnc1=C.
What is the InChIKey of (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole?
The InChIKey is KQQVVZFHGVCNTK-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H9NO/c1-4-6(2)8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-6+.
What are the key properties of (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole?
(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole has a molecular weight of 135.17 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole is sourced from PubChem (CID 156867767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).