(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine

C8H11NO — CID 144877980

IUPAC(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/OCN/C1=C/C
InChIInChI=1S/C8H11NO/c1-3-5-8-7(4-2)9-6-10-8/h3-5,9H,1,6H2,2H3/b7-4+,8-5+
InChIKeyJKQXADJNYSJUBF-NSLJXJERSA-N
MW137.18 g/mol
LogP1.54
Rot. Bonds1

About (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine

(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine (PubChem CID 144877980) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
PubChem CID144877980
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/OCN/C1=C/C
InChIInChI=1S/C8H11NO/c1-3-5-8-7(4-2)9-6-10-8/h3-5,9H,1,6H2,2H3/b7-4+,8-5+
InChIKeyJKQXADJNYSJUBF-NSLJXJERSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine?
The IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine (CID 144877980) is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine?
The canonical SMILES for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine is C=C/C=C1/OCN/C1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine?
The InChIKey is JKQXADJNYSJUBF-NSLJXJERSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-8-7(4-2)9-6-10-8/h3-5,9H,1,6H2,2H3/b7-4+,8-5+.
What are the key properties of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine?
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine has a molecular weight of 137.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine is sourced from PubChem (CID 144877980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).