(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole

C8H9NO — CID 143124033

IUPAC(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole
SMILESC=c1cno/c1=C/C=C\C
InChIInChI=1S/C8H9NO/c1-3-4-5-8-7(2)6-9-10-8/h3-6H,2H2,1H3/b4-3-,8-5+
InChIKeyBNJFESHBJHBUND-HMRFFJRGSA-N
MW135.17 g/mol
LogP0.44
Rot. Bonds1

About (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole

(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole (PubChem CID 143124033) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole
PubChem CID143124033
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole
SMILESC=c1cno/c1=C/C=C\C
InChIInChI=1S/C8H9NO/c1-3-4-5-8-7(2)6-9-10-8/h3-6H,2H2,1H3/b4-3-,8-5+
InChIKeyBNJFESHBJHBUND-HMRFFJRGSA-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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Related Compounds

(z)-4-Methylene-5-propylidene-2-oxazolidine
CID 129708989
(5E)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1,2-oxazole
CID 156867694
(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole
CID 156867733
(NE)-N-(2-cyclopenta-2,4-dien-1-ylidenepropylidene)hydroxylamine
CID 9562555
4,5-Di(propan-2-ylidene)-1,2-oxazole
CID 57564396
4-Methyl-5,6-dihydro-1,2-benzoxazole
CID 68285165
(E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine
CID 89197940
7H-cyclohepta[d][1,2]oxazole
CID 90957562
7-methyl-7H-cyclohepta[d][1,2]oxazole
CID 123808995
(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole
CID 138518868
(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole
CID 142219564
ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine
CID 142804778

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole (CID 143124033) is (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole is C=c1cno/c1=C/C=C\C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole?
The InChIKey is BNJFESHBJHBUND-HMRFFJRGSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-4-5-8-7(2)6-9-10-8/h3-6H,2H2,1H3/b4-3-,8-5+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole?
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-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-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole is sourced from PubChem (CID 143124033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).