ethane;2-ethenyliminobut-3-enamide;molecular hydrogen

C8H16N2O — CID 153400575

IUPACethane;2-ethenyliminobut-3-enamide;molecular hydrogen
SMILESC=C/N=C(\C=C)C(N)=O.CC.[H][H]
InChIInChI=1S/C6H8N2O.C2H6.H2/c1-3-5(6(7)9)8-4-2;1-2;/h3-4H,1-2H2,(H2,7,9);1-2H3;1H/b8-5+;;
InChIKeyBLKMHBXNNNNPCH-RMZRELHQSA-N
MW156.23 g/mol
LogP1.51
Rot. Bonds3

About ethane;2-ethenyliminobut-3-enamide;molecular hydrogen

ethane;2-ethenyliminobut-3-enamide;molecular hydrogen (PubChem CID 153400575) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;2-ethenyliminobut-3-enamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-ethenyliminobut-3-enamide;molecular hydrogen
PubChem CID153400575
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;2-ethenyliminobut-3-enamide;molecular hydrogen
SMILESC=C/N=C(\C=C)C(N)=O.CC.[H][H]
InChIInChI=1S/C6H8N2O.C2H6.H2/c1-3-5(6(7)9)8-4-2;1-2;/h3-4H,1-2H2,(H2,7,9);1-2H3;1H/b8-5+;;
InChIKeyBLKMHBXNNNNPCH-RMZRELHQSA-N
XLogP1.51
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.51
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 ethane;2-ethenyliminobut-3-enamide;molecular hydrogen?
The IUPAC name of ethane;2-ethenyliminobut-3-enamide;molecular hydrogen (CID 153400575) is ethane;2-ethenyliminobut-3-enamide;molecular hydrogen.
What is the SMILES notation for ethane;2-ethenyliminobut-3-enamide;molecular hydrogen?
The canonical SMILES for ethane;2-ethenyliminobut-3-enamide;molecular hydrogen is C=C/N=C(\C=C)C(N)=O.CC.[H][H].
What is the InChIKey of ethane;2-ethenyliminobut-3-enamide;molecular hydrogen?
The InChIKey is BLKMHBXNNNNPCH-RMZRELHQSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6.H2/c1-3-5(6(7)9)8-4-2;1-2;/h3-4H,1-2H2,(H2,7,9);1-2H3;1H/b8-5+;;.
What are the key properties of ethane;2-ethenyliminobut-3-enamide;molecular hydrogen?
ethane;2-ethenyliminobut-3-enamide;molecular hydrogen has a molecular weight of 156.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyliminobut-3-enamide;molecular hydrogen is sourced from PubChem (CID 153400575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).