4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one

C7H9NO2 — CID 10975566

IUPAC4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C=C/C1COC(=O)N1
InChIInChI=1S/C7H9NO2/c1-2-3-4-6-5-10-7(9)8-6/h2-4,6H,1,5H2,(H,8,9)/b4-3+
InChIKeyOJUACSUBWFWNDY-ONEGZZNKSA-N
MW139.15 g/mol
LogP0.84
Rot. Bonds2

About 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one

4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one (PubChem CID 10975566) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one
PubChem CID10975566
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C=C/C1COC(=O)N1
InChIInChI=1S/C7H9NO2/c1-2-3-4-6-5-10-7(9)8-6/h2-4,6H,1,5H2,(H,8,9)/b4-3+
InChIKeyOJUACSUBWFWNDY-ONEGZZNKSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-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

Related Compounds

(S)-4-Vinyloxazolidin-2-one
CID 11116019
4-Vinyloxazolidin-2-one
CID 14982204
(4S)-4-(2-Methyl-1-propen-1-yl)-2-oxazolidinone
CID 12167157
4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 14840510
(R)-4-Vinyloxazolidin-2-one
CID 14982205
4-(2-Methylprop-1-enyl)-1,3-oxazolidin-2-one
CID 85435878
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
CID 89265464
3,3a-Dihydrocyclopenta[d][1,3]oxazol-2-one
CID 89767387
4-(3,3-Dimethylbut-1-enyl)-1,3-oxazolidin-2-one
CID 123173596
4-Hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one
CID 123363079
4-(3-Methylbut-1-enyl)-1,3-oxazolidin-2-one
CID 123594387
4-Cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one
CID 123859347

Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one (CID 10975566) is 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one is C=C/C=C/C1COC(=O)N1.
What is the InChIKey of 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is OJUACSUBWFWNDY-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-3-4-6-5-10-7(9)8-6/h2-4,6H,1,5H2,(H,8,9)/b4-3+.
What are the key properties of 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one?
4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-buta-1,3-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10975566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).