(4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one

C12H19NO2 — CID 130461631

IUPAC(4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC/C=C\C=C1/C(C)OC(=O)N1C(C)C
InChIInChI=1S/C12H19NO2/c1-5-6-7-8-11-10(4)15-12(14)13(11)9(2)3/h6-10H,5H2,1-4H3/b7-6-,11-8+
InChIKeyVAEHAFHAVKYBQK-BQGCWICQSA-N
MW209.29 g/mol
LogP3.09
Rot. Bonds3

About (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one

(4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130461631) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130461631
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC/C=C\C=C1/C(C)OC(=O)N1C(C)C
InChIInChI=1S/C12H19NO2/c1-5-6-7-8-11-10(4)15-12(14)13(11)9(2)3/h6-10H,5H2,1-4H3/b7-6-,11-8+
InChIKeyVAEHAFHAVKYBQK-BQGCWICQSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 130461631) is (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one is CC/C=C\C=C1/C(C)OC(=O)N1C(C)C.
What is the InChIKey of (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VAEHAFHAVKYBQK-BQGCWICQSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-6-7-8-11-10(4)15-12(14)13(11)9(2)3/h6-10H,5H2,1-4H3/b7-6-,11-8+.
What are the key properties of (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one?
(4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methyl-4-[(Z)-pent-2-enylidene]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130461631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).