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

C10H15NO2 — CID 145480584

IUPACethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one
SMILESC=C(C)/C=c1/oc(=O)[nH]c1=C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-5(2)4-7-6(3)9-8(10)11-7;1-2/h4H,1,3H2,2H3,(H,9,10);1-2H3/b7-4+;
InChIKeyUFIXQXCUFGXMJS-KQGICBIGSA-N
MW181.23 g/mol
LogP0.76
Rot. Bonds1

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

ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one (PubChem CID 145480584) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one
PubChem CID145480584
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one
SMILESC=C(C)/C=c1/oc(=O)[nH]c1=C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-5(2)4-7-6(3)9-8(10)11-7;1-2/h4H,1,3H2,2H3,(H,9,10);1-2H3/b7-4+;
InChIKeyUFIXQXCUFGXMJS-KQGICBIGSA-N
XLogP0.76
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one?
The IUPAC name of ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one (CID 145480584) is ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one is C=C(C)/C=c1/oc(=O)[nH]c1=C.CC.
What is the InChIKey of ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one?
The InChIKey is UFIXQXCUFGXMJS-KQGICBIGSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-5(2)4-7-6(3)9-8(10)11-7;1-2/h4H,1,3H2,2H3,(H,9,10);1-2H3/b7-4+;.
What are the key properties of ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one?
ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 145480584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).