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

C10H17NO — CID 143817261

IUPACethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/NCO/C1=C/C.CC
InChIInChI=1S/C8H11NO.C2H6/c1-3-5-7-8(4-2)10-6-9-7;1-2/h3-5,9H,1,6H2,2H3;1-2H3/b7-5+,8-4+;
InChIKeyHJRDEFVWSILLDZ-VDQZQDHGSA-N
MW167.25 g/mol
LogP2.56
Rot. Bonds1

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

ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine (PubChem CID 143817261) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine
PubChem CID143817261
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/NCO/C1=C/C.CC
InChIInChI=1S/C8H11NO.C2H6/c1-3-5-7-8(4-2)10-6-9-7;1-2/h3-5,9H,1,6H2,2H3;1-2H3/b7-5+,8-4+;
InChIKeyHJRDEFVWSILLDZ-VDQZQDHGSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole
CID 143256258
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 ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine?
The IUPAC name of ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine (CID 143817261) is ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine.
What is the SMILES notation for ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine?
The canonical SMILES for ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine is C=C/C=C1/NCO/C1=C/C.CC.
What is the InChIKey of ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine?
The InChIKey is HJRDEFVWSILLDZ-VDQZQDHGSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-3-5-7-8(4-2)10-6-9-7;1-2/h3-5,9H,1,6H2,2H3;1-2H3/b7-5+,8-4+;.
What are the key properties of ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine?
ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine has a molecular weight of 167.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine is sourced from PubChem (CID 143817261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).