(4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one

C10H13NO2 — CID 135202415

IUPAC(4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one
SMILESC/C=C(C)\C=c1\[nH]c(=O)o\c1=C\C
InChIInChI=1S/C10H13NO2/c1-4-7(3)6-8-9(5-2)13-10(12)11-8/h4-6H,1-3H3,(H,11,12)/b7-4-,8-6+,9-5+
InChIKeyGECZIIPLJLDULT-RSOCWDBNSA-N
MW179.22 g/mol
LogP0.51
Rot. Bonds1

About (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one

(4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one (PubChem CID 135202415) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one
PubChem CID135202415
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one
SMILESC/C=C(C)\C=c1\[nH]c(=O)o\c1=C\C
InChIInChI=1S/C10H13NO2/c1-4-7(3)6-8-9(5-2)13-10(12)11-8/h4-6H,1-3H3,(H,11,12)/b7-4-,8-6+,9-5+
InChIKeyGECZIIPLJLDULT-RSOCWDBNSA-N
XLogP0.51
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one?
The IUPAC name of (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one (CID 135202415) is (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one?
The canonical SMILES for (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one is C/C=C(C)\C=c1\[nH]c(=O)o\c1=C\C.
What is the InChIKey of (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one?
The InChIKey is GECZIIPLJLDULT-RSOCWDBNSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-7(3)6-8-9(5-2)13-10(12)11-8/h4-6H,1-3H3,(H,11,12)/b7-4-,8-6+,9-5+.
What are the key properties of (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one?
(4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135202415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).