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

C9H18N2O — CID 170752068

IUPACN-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen
SMILESC/C=C(\C=N\CC)NC(=O)CC.[H][H]
InChIInChI=1S/C9H16N2O.H2/c1-4-8(7-10-6-3)11-9(12)5-2;/h4,7H,5-6H2,1-3H3,(H,11,12);1H/b8-4+,10-7+;
InChIKeyCYISTNMODUSIDN-GENSHPCPSA-N
MW170.26 g/mol
LogP1.75
Rot. Bonds4

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

N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen (PubChem CID 170752068) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen
PubChem CID170752068
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen
SMILESC/C=C(\C=N\CC)NC(=O)CC.[H][H]
InChIInChI=1S/C9H16N2O.H2/c1-4-8(7-10-6-3)11-9(12)5-2;/h4,7H,5-6H2,1-3H3,(H,11,12);1H/b8-4+,10-7+;
InChIKeyCYISTNMODUSIDN-GENSHPCPSA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.75
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-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
CID 89156140
N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]acetamide
CID 90091431
N-(2H-azepin-6-yl)acetamide
CID 123439367
N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide
CID 129171349
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-[(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
dimethyl-[(2E)-3-(propanoylamino)penta-2,4-dienylidene]azanium
CID 142111301
N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide
CID 143282267

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen?
The IUPAC name of N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen (CID 170752068) is N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen.
What is the SMILES notation for N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen?
The canonical SMILES for N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen is C/C=C(\C=N\CC)NC(=O)CC.[H][H].
What is the InChIKey of N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen?
The InChIKey is CYISTNMODUSIDN-GENSHPCPSA-N. The full InChI is InChI=1S/C9H16N2O.H2/c1-4-8(7-10-6-3)11-9(12)5-2;/h4,7H,5-6H2,1-3H3,(H,11,12);1H/b8-4+,10-7+;.
What are the key properties of N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen?
N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen has a molecular weight of 170.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 170752068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).