3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one

C8H11NO3 — CID 118400703

IUPAC3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one
SMILESCC(=O)/C=C/CN1CCOC1=O
InChIInChI=1S/C8H11NO3/c1-7(10)3-2-4-9-5-6-12-8(9)11/h2-3H,4-6H2,1H3/b3-2+
InChIKeyACPMTDIEHHOSTN-NSCUHMNNSA-N
MW169.18 g/mol
LogP0.58
Rot. Bonds3

About 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one

3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 118400703) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one
PubChem CID118400703
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one
SMILESCC(=O)/C=C/CN1CCOC1=O
InChIInChI=1S/C8H11NO3/c1-7(10)3-2-4-9-5-6-12-8(9)11/h2-3H,4-6H2,1H3/b3-2+
InChIKeyACPMTDIEHHOSTN-NSCUHMNNSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one (CID 118400703) is 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one is CC(=O)/C=C/CN1CCOC1=O.
What is the InChIKey of 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is ACPMTDIEHHOSTN-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11NO3/c1-7(10)3-2-4-9-5-6-12-8(9)11/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one?
3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118400703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).