ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine

C12H23NO — CID 143256828

IUPACethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
SMILESC=C(C)/C=C1/NCOC1=C.CC.CC
InChIInChI=1S/C8H11NO.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;
InChIKeyYVSHNJQZIZXIQF-ZDTICIBISA-N
MW197.32 g/mol
LogP3.59
Rot. Bonds1

About ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine

ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine (PubChem CID 143256828) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
PubChem CID143256828
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
SMILESC=C(C)/C=C1/NCOC1=C.CC.CC
InChIInChI=1S/C8H11NO.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;
InChIKeyYVSHNJQZIZXIQF-ZDTICIBISA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine (CID 143256828) is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine.
What is the SMILES notation for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The canonical SMILES for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine is C=C(C)/C=C1/NCOC1=C.CC.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The InChIKey is YVSHNJQZIZXIQF-ZDTICIBISA-N. The full InChI is InChI=1S/C8H11NO.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;.
What are the key properties of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine has a molecular weight of 197.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine is sourced from PubChem (CID 143256828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).