(4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one

C8H9NO3 — CID 134172827

IUPAC(4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one
SMILESC=c1oc(=O)[nH]/c1=C/C(O)=C\C
InChIInChI=1S/C8H9NO3/c1-3-6(10)4-7-5(2)12-8(11)9-7/h3-4,10H,2H2,1H3,(H,9,11)/b6-3+,7-4+
InChIKeyZQARKULOKAMYQM-XOKGJFMYSA-N
MW167.16 g/mol
LogP-0.38
Rot. Bonds1

About (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one

(4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one (PubChem CID 134172827) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one
PubChem CID134172827
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one
SMILESC=c1oc(=O)[nH]/c1=C/C(O)=C\C
InChIInChI=1S/C8H9NO3/c1-3-6(10)4-7-5(2)12-8(11)9-7/h3-4,10H,2H2,1H3,(H,9,11)/b6-3+,7-4+
InChIKeyZQARKULOKAMYQM-XOKGJFMYSA-N
XLogP-0.38
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one (CID 134172827) is (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one is C=c1oc(=O)[nH]/c1=C/C(O)=C\C.
What is the InChIKey of (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one?
The InChIKey is ZQARKULOKAMYQM-XOKGJFMYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-3-6(10)4-7-5(2)12-8(11)9-7/h3-4,10H,2H2,1H3,(H,9,11)/b6-3+,7-4+.
What are the key properties of (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one?
(4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one has a molecular weight of 167.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(E)-2-hydroxybut-2-enylidene]-5-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 134172827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).