ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen

C10H22N2O — CID 170752129

IUPACethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen
SMILESC/C=C(\C=N\CC)NC(C)=O.CC.[H][H]
InChIInChI=1S/C8H14N2O.C2H6.H2/c1-4-8(6-9-5-2)10-7(3)11;1-2;/h4,6H,5H2,1-3H3,(H,10,11);1-2H3;1H/b8-4+,9-6+;;
InChIKeyJPKLVTKIJOOYCH-ZEZGLLRXSA-N
MW186.30 g/mol
LogP2.39
Rot. Bonds3

About ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen

ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen (PubChem CID 170752129) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen
PubChem CID170752129
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nameethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen
SMILESC/C=C(\C=N\CC)NC(C)=O.CC.[H][H]
InChIInChI=1S/C8H14N2O.C2H6.H2/c1-4-8(6-9-5-2)10-7(3)11;1-2;/h4,6H,5H2,1-3H3,(H,10,11);1-2H3;1H/b8-4+,9-6+;;
InChIKeyJPKLVTKIJOOYCH-ZEZGLLRXSA-N
XLogP2.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.39
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-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide
CID 23388689
N-(5-methyliminopenta-1,3-dien-3-yl)acetamide
CID 74046699
N-[(Z)-3-aminobut-2-enylidene]acetamide
CID 88944313
N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]acetamide
CID 90091431
N-(3-methyliminoprop-1-en-2-yl)prop-2-enamide
CID 90098249
N-(2H-1,4-diazepin-6-yl)acetamide
CID 90891491
N-(2H-azepin-6-yl)acetamide
CID 123439367
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide
CID 134566878
N-[(1E)-1-(prop-2-enylideneamino)buta-1,3-dien-2-yl]acetamide
CID 137490218
N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]acetamide
CID 137490373
N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide
CID 138722404

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen?
The IUPAC name of ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen (CID 170752129) is ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen?
The canonical SMILES for ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen is C/C=C(\C=N\CC)NC(C)=O.CC.[H][H].
What is the InChIKey of ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen?
The InChIKey is JPKLVTKIJOOYCH-ZEZGLLRXSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6.H2/c1-4-8(6-9-5-2)10-7(3)11;1-2;/h4,6H,5H2,1-3H3,(H,10,11);1-2H3;1H/b8-4+,9-6+;;.
What are the key properties of ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen?
ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen has a molecular weight of 186.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 170752129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).