N-(2-ethenyliminobut-3-enyl)acetamide

C8H12N2O — CID 177244132

IUPACN-(2-ethenyliminobut-3-enyl)acetamide
SMILESC=C/N=C(\C=C)CNC(C)=O
InChIInChI=1S/C8H12N2O/c1-4-8(9-5-2)6-10-7(3)11/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-8+
InChIKeyLPJXPLSQXLZSNG-CMDGGOBGSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds4

About N-(2-ethenyliminobut-3-enyl)acetamide

N-(2-ethenyliminobut-3-enyl)acetamide (PubChem CID 177244132) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(2-ethenyliminobut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(2-ethenyliminobut-3-enyl)acetamide
PubChem CID177244132
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(2-ethenyliminobut-3-enyl)acetamide
SMILESC=C/N=C(\C=C)CNC(C)=O
InChIInChI=1S/C8H12N2O/c1-4-8(9-5-2)6-10-7(3)11/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-8+
InChIKeyLPJXPLSQXLZSNG-CMDGGOBGSA-N
XLogP0.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.89
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 N-(2-ethenyliminobut-3-enyl)acetamide?
The IUPAC name of N-(2-ethenyliminobut-3-enyl)acetamide (CID 177244132) is N-(2-ethenyliminobut-3-enyl)acetamide.
What is the SMILES notation for N-(2-ethenyliminobut-3-enyl)acetamide?
The canonical SMILES for N-(2-ethenyliminobut-3-enyl)acetamide is C=C/N=C(\C=C)CNC(C)=O.
What is the InChIKey of N-(2-ethenyliminobut-3-enyl)acetamide?
The InChIKey is LPJXPLSQXLZSNG-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-8(9-5-2)6-10-7(3)11/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-8+.
What are the key properties of N-(2-ethenyliminobut-3-enyl)acetamide?
N-(2-ethenyliminobut-3-enyl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyliminobut-3-enyl)acetamide is sourced from PubChem (CID 177244132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).