ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one

C10H15NO2 — CID 166454996

IUPACethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one
SMILESC=C/C=c1\c(=C)oc(=O)n1C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-4-5-7-6(2)11-8(10)9(7)3;1-2/h4-5H,1-2H2,3H3;1-2H3/b7-5+;
InChIKeyAYNJYOJXQZKSKO-GZOLSCHFSA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds1

About ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one

ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one (PubChem CID 166454996) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one
PubChem CID166454996
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one
SMILESC=C/C=c1\c(=C)oc(=O)n1C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-4-5-7-6(2)11-8(10)9(7)3;1-2/h4-5H,1-2H2,3H3;1-2H3/b7-5+;
InChIKeyAYNJYOJXQZKSKO-GZOLSCHFSA-N
XLogP0.38
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one?
The IUPAC name of ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one (CID 166454996) is ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one is C=C/C=c1\c(=C)oc(=O)n1C.CC.
What is the InChIKey of ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one?
The InChIKey is AYNJYOJXQZKSKO-GZOLSCHFSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-4-5-7-6(2)11-8(10)9(7)3;1-2/h4-5H,1-2H2,3H3;1-2H3/b7-5+;.
What are the key properties of ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one?
ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-3-methyl-5-methylidene-4-prop-2-enylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 166454996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).