(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole

C8H9NO — CID 138518868

IUPAC(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole
SMILESC=C/C=c1/cno/c1=C/C
InChIInChI=1S/C8H9NO/c1-3-5-7-6-9-10-8(7)4-2/h3-6H,1H2,2H3/b7-5-,8-4+
InChIKeyBGHMGNPSFHUYCR-DZAKWUEVSA-N
MW135.17 g/mol
LogP0.44
Rot. Bonds1

About (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole

(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole (PubChem CID 138518868) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole.

Molecular Properties

Compound Name(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole
PubChem CID138518868
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole
SMILESC=C/C=c1/cno/c1=C/C
InChIInChI=1S/C8H9NO/c1-3-5-7-6-9-10-8(7)4-2/h3-6H,1H2,2H3/b7-5-,8-4+
InChIKeyBGHMGNPSFHUYCR-DZAKWUEVSA-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 (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole?
The IUPAC name of (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole (CID 138518868) is (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole.
What is the SMILES notation for (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole?
The canonical SMILES for (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole is C=C/C=c1/cno/c1=C/C.
What is the InChIKey of (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole?
The InChIKey is BGHMGNPSFHUYCR-DZAKWUEVSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-5-7-6-9-10-8(7)4-2/h3-6H,1H2,2H3/b7-5-,8-4+.
What are the key properties of (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole?
(4Z,5E)-5-ethylidene-4-prop-2-enylidene-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 (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole is sourced from PubChem (CID 138518868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).