N-[2-(methyliminomethyl)but-2-enyl]acetamide

C8H14N2O — CID 123446401

IUPACN-[2-(methyliminomethyl)but-2-enyl]acetamide
SMILESCC=C(/C=N/C)CNC(C)=O
InChIInChI=1S/C8H14N2O/c1-4-8(5-9-3)6-10-7(2)11/h4-5H,6H2,1-3H3,(H,10,11)/b8-4?,9-5+
InChIKeyYFTWVGIWOTZMNG-YUIQCLSOSA-N
MW154.21 g/mol
LogP0.77
Rot. Bonds3

About N-[2-(methyliminomethyl)but-2-enyl]acetamide

N-[2-(methyliminomethyl)but-2-enyl]acetamide (PubChem CID 123446401) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[2-(methyliminomethyl)but-2-enyl]acetamide.

Molecular Properties

Compound NameN-[2-(methyliminomethyl)but-2-enyl]acetamide
PubChem CID123446401
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[2-(methyliminomethyl)but-2-enyl]acetamide
SMILESCC=C(/C=N/C)CNC(C)=O
InChIInChI=1S/C8H14N2O/c1-4-8(5-9-3)6-10-7(2)11/h4-5H,6H2,1-3H3,(H,10,11)/b8-4?,9-5+
InChIKeyYFTWVGIWOTZMNG-YUIQCLSOSA-N
XLogP0.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methanimidoyl-3-methylbut-2-enamide
CID 89393508
N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
CID 134406094
N-(2,3-dihydropyridin-4-ylmethyl)acetamide
CID 138478321
N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide
CID 139505612
ethane;N-methylacetamide;(Z)-2-methylbut-2-en-1-imine
CID 141958882
N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
CID 143514853
(Z)-4-imino-N,3-dimethylbut-2-enamide
CID 143897171
N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide
CID 144946520
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide
CID 147840228
ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane
CID 153344253
N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen
CID 157037980
N-propan-2-yl-2H-pyrrole-4-carboxamide
CID 158126843

Frequently Asked Questions

What is the IUPAC name of N-[2-(methyliminomethyl)but-2-enyl]acetamide?
The IUPAC name of N-[2-(methyliminomethyl)but-2-enyl]acetamide (CID 123446401) is N-[2-(methyliminomethyl)but-2-enyl]acetamide.
What is the SMILES notation for N-[2-(methyliminomethyl)but-2-enyl]acetamide?
The canonical SMILES for N-[2-(methyliminomethyl)but-2-enyl]acetamide is CC=C(/C=N/C)CNC(C)=O.
What is the InChIKey of N-[2-(methyliminomethyl)but-2-enyl]acetamide?
The InChIKey is YFTWVGIWOTZMNG-YUIQCLSOSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-8(5-9-3)6-10-7(2)11/h4-5H,6H2,1-3H3,(H,10,11)/b8-4?,9-5+.
What are the key properties of N-[2-(methyliminomethyl)but-2-enyl]acetamide?
N-[2-(methyliminomethyl)but-2-enyl]acetamide has a molecular weight of 154.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methyliminomethyl)but-2-enyl]acetamide is sourced from PubChem (CID 123446401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).