2-ethenyliminobut-3-enamide

C6H8N2O — CID 153400576

IUPAC2-ethenyliminobut-3-enamide
SMILESC=C/N=C(\C=C)C(N)=O
InChIInChI=1S/C6H8N2O/c1-3-5(6(7)9)8-4-2/h3-4H,1-2H2,(H2,7,9)/b8-5+
InChIKeyNWNRALRRQPAQPP-VMPITWQZSA-N
MW124.14 g/mol
LogP0.24
Rot. Bonds3

About 2-ethenyliminobut-3-enamide

2-ethenyliminobut-3-enamide (PubChem CID 153400576) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-ethenyliminobut-3-enamide.

Molecular Properties

Compound Name2-ethenyliminobut-3-enamide
PubChem CID153400576
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-ethenyliminobut-3-enamide
SMILESC=C/N=C(\C=C)C(N)=O
InChIInChI=1S/C6H8N2O/c1-3-5(6(7)9)8-4-2/h3-4H,1-2H2,(H2,7,9)/b8-5+
InChIKeyNWNRALRRQPAQPP-VMPITWQZSA-N
XLogP0.24
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyliminobut-3-enamide?
The IUPAC name of 2-ethenyliminobut-3-enamide (CID 153400576) is 2-ethenyliminobut-3-enamide.
What is the SMILES notation for 2-ethenyliminobut-3-enamide?
The canonical SMILES for 2-ethenyliminobut-3-enamide is C=C/N=C(\C=C)C(N)=O.
What is the InChIKey of 2-ethenyliminobut-3-enamide?
The InChIKey is NWNRALRRQPAQPP-VMPITWQZSA-N. The full InChI is InChI=1S/C6H8N2O/c1-3-5(6(7)9)8-4-2/h3-4H,1-2H2,(H2,7,9)/b8-5+.
What are the key properties of 2-ethenyliminobut-3-enamide?
2-ethenyliminobut-3-enamide has a molecular weight of 124.14 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyliminobut-3-enamide is sourced from PubChem (CID 153400576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).