acetamide;ethanimine;molecular hydrogen

C4H12N2O — CID 142839572

IUPACacetamide;ethanimine;molecular hydrogen
SMILESCC(N)=O.[H]/N=C/C.[H][H]
InChIInChI=1S/C2H5NO.C2H5N.H2/c1-2(3)4;1-2-3;/h1H3,(H2,3,4);2-3H,1H3;1H/b;3-2+;
InChIKeyTVVALWQFJXVSFR-VQSZBRBVSA-N
MW104.15 g/mol
LogP0.39
Rot. Bonds

About acetamide;ethanimine;molecular hydrogen

acetamide;ethanimine;molecular hydrogen (PubChem CID 142839572) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is acetamide;ethanimine;molecular hydrogen.

Molecular Properties

Compound Nameacetamide;ethanimine;molecular hydrogen
PubChem CID142839572
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Nameacetamide;ethanimine;molecular hydrogen
SMILESCC(N)=O.[H]/N=C/C.[H][H]
InChIInChI=1S/C2H5NO.C2H5N.H2/c1-2(3)4;1-2-3;/h1H3,(H2,3,4);2-3H,1H3;1H/b;3-2+;
InChIKeyTVVALWQFJXVSFR-VQSZBRBVSA-N
XLogP0.39
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19762194
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Frequently Asked Questions

What is the IUPAC name of acetamide;ethanimine;molecular hydrogen?
The IUPAC name of acetamide;ethanimine;molecular hydrogen (CID 142839572) is acetamide;ethanimine;molecular hydrogen.
What is the SMILES notation for acetamide;ethanimine;molecular hydrogen?
The canonical SMILES for acetamide;ethanimine;molecular hydrogen is CC(N)=O.[H]/N=C/C.[H][H].
What is the InChIKey of acetamide;ethanimine;molecular hydrogen?
The InChIKey is TVVALWQFJXVSFR-VQSZBRBVSA-N. The full InChI is InChI=1S/C2H5NO.C2H5N.H2/c1-2(3)4;1-2-3;/h1H3,(H2,3,4);2-3H,1H3;1H/b;3-2+;.
What are the key properties of acetamide;ethanimine;molecular hydrogen?
acetamide;ethanimine;molecular hydrogen has a molecular weight of 104.15 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;ethanimine;molecular hydrogen is sourced from PubChem (CID 142839572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).