ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one

C12H19NO2 — CID 169177659

IUPACethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one
SMILESC=c1oc(=O)[nH]/c1=C/C(C)=C\CC.CC
InChIInChI=1S/C10H13NO2.C2H6/c1-4-5-7(2)6-9-8(3)13-10(12)11-9;1-2/h5-6H,3-4H2,1-2H3,(H,11,12);1-2H3/b7-5-,9-6+;
InChIKeyGCYJBULNZNLEAB-UKRQJTKBSA-N
MW209.29 g/mol
LogP1.54
Rot. Bonds2

About ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one

ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one (PubChem CID 169177659) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one
PubChem CID169177659
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one
SMILESC=c1oc(=O)[nH]/c1=C/C(C)=C\CC.CC
InChIInChI=1S/C10H13NO2.C2H6/c1-4-5-7(2)6-9-8(3)13-10(12)11-9;1-2/h5-6H,3-4H2,1-2H3,(H,11,12);1-2H3/b7-5-,9-6+;
InChIKeyGCYJBULNZNLEAB-UKRQJTKBSA-N
XLogP1.54
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.54
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-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one?
The IUPAC name of ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one (CID 169177659) is ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one is C=c1oc(=O)[nH]/c1=C/C(C)=C\CC.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one?
The InChIKey is GCYJBULNZNLEAB-UKRQJTKBSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-4-5-7(2)6-9-8(3)13-10(12)11-9;1-2/h5-6H,3-4H2,1-2H3,(H,11,12);1-2H3/b7-5-,9-6+;.
What are the key properties of ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one?
ethane;(4E)-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.54, 2 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-[(Z)-2-methylpent-2-enylidene]-1,3-oxazolidin-2-one is sourced from PubChem (CID 169177659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).