[(1Z)-buta-1,3-dienyl]urea

C5H8N2O — CID 89155794

IUPAC[(1Z)-buta-1,3-dienyl]urea
SMILESC=C/C=C\NC(N)=O
InChIInChI=1S/C5H8N2O/c1-2-3-4-7-5(6)8/h2-4H,1H2,(H3,6,7,8)/b4-3-
InChIKeyKAAIRXJVIHFTMO-ARJAWSKDSA-N
MW112.13 g/mol
LogP0.35
Rot. Bonds2

About [(1Z)-buta-1,3-dienyl]urea

[(1Z)-buta-1,3-dienyl]urea (PubChem CID 89155794) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is [(1Z)-buta-1,3-dienyl]urea.

Molecular Properties

Compound Name[(1Z)-buta-1,3-dienyl]urea
PubChem CID89155794
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name[(1Z)-buta-1,3-dienyl]urea
SMILESC=C/C=C\NC(N)=O
InChIInChI=1S/C5H8N2O/c1-2-3-4-7-5(6)8/h2-4H,1H2,(H3,6,7,8)/b4-3-
InChIKeyKAAIRXJVIHFTMO-ARJAWSKDSA-N
XLogP0.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1Z)-buta-1,3-dienyl]urea 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 [(1Z)-buta-1,3-dienyl]urea?
The IUPAC name of [(1Z)-buta-1,3-dienyl]urea (CID 89155794) is [(1Z)-buta-1,3-dienyl]urea.
What is the SMILES notation for [(1Z)-buta-1,3-dienyl]urea?
The canonical SMILES for [(1Z)-buta-1,3-dienyl]urea is C=C/C=C\NC(N)=O.
What is the InChIKey of [(1Z)-buta-1,3-dienyl]urea?
The InChIKey is KAAIRXJVIHFTMO-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-3-4-7-5(6)8/h2-4H,1H2,(H3,6,7,8)/b4-3-.
What are the key properties of [(1Z)-buta-1,3-dienyl]urea?
[(1Z)-buta-1,3-dienyl]urea has a molecular weight of 112.13 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-buta-1,3-dienyl]urea is sourced from PubChem (CID 89155794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).