3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one

C12H17NO4 — CID 102421356

IUPAC3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCC1(CC/C=C/C(=O)N2CCOC2=O)CO1
InChIInChI=1S/C12H17NO4/c1-2-12(9-17-12)6-4-3-5-10(14)13-7-8-16-11(13)15/h3,5H,2,4,6-9H2,1H3/b5-3+
InChIKeyRJHAUCRMYVKDTJ-HWKANZROSA-N
MW239.27 g/mol
LogP1.48
Rot. Bonds5

About 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 102421356) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID102421356
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCC1(CC/C=C/C(=O)N2CCOC2=O)CO1
InChIInChI=1S/C12H17NO4/c1-2-12(9-17-12)6-4-3-5-10(14)13-7-8-16-11(13)15/h3,5H,2,4,6-9H2,1H3/b5-3+
InChIKeyRJHAUCRMYVKDTJ-HWKANZROSA-N
XLogP1.48
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one (CID 102421356) is 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one is CCC1(CC/C=C/C(=O)N2CCOC2=O)CO1.
What is the InChIKey of 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is RJHAUCRMYVKDTJ-HWKANZROSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-12(9-17-12)6-4-3-5-10(14)13-7-8-16-11(13)15/h3,5H,2,4,6-9H2,1H3/b5-3+.
What are the key properties of 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 239.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102421356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).