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

C8H11NO — CID 143817262

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

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

(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine (PubChem CID 143817262) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine
PubChem CID143817262
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/NCO/C1=C/C
InChIInChI=1S/C8H11NO/c1-3-5-7-8(4-2)10-6-9-7/h3-5,9H,1,6H2,2H3/b7-5+,8-4+
InChIKeyNPVSXEFOJZBUDJ-JBVHCYJISA-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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Related Compounds

5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
CID 89386699
2,3-Dihydrocyclohepta[d][1,3]oxazole
CID 123811482
(4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine
CID 130239800
5,5-Dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 138722222
(4E,5E)-3-methyl-2-methylidene-4,5-bis(prop-2-enylidene)-1,3-oxazolidine
CID 139406343
4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
CID 139460781
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
CID 142078831
ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
CID 142300254
ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine
CID 142971050
(3E,5E)-5-ethoxy-N-methylhepta-1,3,5-trien-4-amine
CID 143012572
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 143256828
4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane
CID 143380093

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine?
The IUPAC name of (4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine (CID 143817262) is (4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine.
What is the SMILES notation for (4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine?
The canonical SMILES for (4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine is C=C/C=C1/NCO/C1=C/C.
What is the InChIKey of (4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine?
The InChIKey is NPVSXEFOJZBUDJ-JBVHCYJISA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-7-8(4-2)10-6-9-7/h3-5,9H,1,6H2,2H3/b7-5+,8-4+.
What are the key properties of (4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine?
(4E,5E)-5-ethylidene-4-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)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine is sourced from PubChem (CID 143817262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).