[(E)-2-methylbut-2-enyl]urea

C6H12N2O — CID 20840837

IUPAC[(E)-2-methylbut-2-enyl]urea
SMILESC/C=C(\C)CNC(N)=O
InChIInChI=1S/C6H12N2O/c1-3-5(2)4-8-6(7)9/h3H,4H2,1-2H3,(H3,7,8,9)/b5-3+
InChIKeyLFECOYKSWUQIAR-HWKANZROSA-N
MW128.17 g/mol
LogP0.62
Rot. Bonds2

About [(E)-2-methylbut-2-enyl]urea

[(E)-2-methylbut-2-enyl]urea (PubChem CID 20840837) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is [(E)-2-methylbut-2-enyl]urea.

Molecular Properties

Compound Name[(E)-2-methylbut-2-enyl]urea
PubChem CID20840837
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name[(E)-2-methylbut-2-enyl]urea
SMILESC/C=C(\C)CNC(N)=O
InChIInChI=1S/C6H12N2O/c1-3-5(2)4-8-6(7)9/h3H,4H2,1-2H3,(H3,7,8,9)/b5-3+
InChIKeyLFECOYKSWUQIAR-HWKANZROSA-N
XLogP0.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylbut-2-enyl]urea?
The IUPAC name of [(E)-2-methylbut-2-enyl]urea (CID 20840837) is [(E)-2-methylbut-2-enyl]urea.
What is the SMILES notation for [(E)-2-methylbut-2-enyl]urea?
The canonical SMILES for [(E)-2-methylbut-2-enyl]urea is C/C=C(\C)CNC(N)=O.
What is the InChIKey of [(E)-2-methylbut-2-enyl]urea?
The InChIKey is LFECOYKSWUQIAR-HWKANZROSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-5(2)4-8-6(7)9/h3H,4H2,1-2H3,(H3,7,8,9)/b5-3+.
What are the key properties of [(E)-2-methylbut-2-enyl]urea?
[(E)-2-methylbut-2-enyl]urea has a molecular weight of 128.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylbut-2-enyl]urea is sourced from PubChem (CID 20840837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).