4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one

C10H11NO2 — CID 170181294

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one
SMILESC=C/C=C\c1c(C=C)oc(=O)n1C
InChIInChI=1S/C10H11NO2/c1-4-6-7-8-9(5-2)13-10(12)11(8)3/h4-7H,1-2H2,3H3/b7-6-
InChIKeyLZEUMEGITSIWII-SREVYHEPSA-N
MW177.20 g/mol
LogP1.82
Rot. Bonds3

About 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one

4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one (PubChem CID 170181294) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one
PubChem CID170181294
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one
SMILESC=C/C=C\c1c(C=C)oc(=O)n1C
InChIInChI=1S/C10H11NO2/c1-4-6-7-8-9(5-2)13-10(12)11(8)3/h4-7H,1-2H2,3H3/b7-6-
InChIKeyLZEUMEGITSIWII-SREVYHEPSA-N
XLogP1.82
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-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-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one (CID 170181294) is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one is C=C/C=C\c1c(C=C)oc(=O)n1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one?
The InChIKey is LZEUMEGITSIWII-SREVYHEPSA-N. The full InChI is InChI=1S/C10H11NO2/c1-4-6-7-8-9(5-2)13-10(12)11(8)3/h4-7H,1-2H2,3H3/b7-6-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one?
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 170181294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).