4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one

C8H12N2O3 — CID 3047829

IUPAC4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
SMILESCC(=O)C=C(C)NC1CONC1=O
InChIInChI=1S/C8H12N2O3/c1-5(3-6(2)11)9-7-4-13-10-8(7)12/h3,7,9H,4H2,1-2H3,(H,10,12)
InChIKeyDGYLXKOLHICICX-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.50
Rot. Bonds3

About 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one

4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one (PubChem CID 3047829) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
PubChem CID3047829
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
SMILESCC(=O)C=C(C)NC1CONC1=O
InChIInChI=1S/C8H12N2O3/c1-5(3-6(2)11)9-7-4-13-10-8(7)12/h3,7,9H,4H2,1-2H3,(H,10,12)
InChIKeyDGYLXKOLHICICX-UHFFFAOYSA-N
XLogP-0.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one?
The IUPAC name of 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one (CID 3047829) is 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one?
The canonical SMILES for 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one is CC(=O)C=C(C)NC1CONC1=O.
What is the InChIKey of 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one?
The InChIKey is DGYLXKOLHICICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(3-6(2)11)9-7-4-13-10-8(7)12/h3,7,9H,4H2,1-2H3,(H,10,12).
What are the key properties of 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one?
4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one is sourced from PubChem (CID 3047829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).