ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide

C9H16N2O — CID 145084292

IUPACethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide
SMILESC=C/N=C/C(=C)NC(C)=O.CC
InChIInChI=1S/C7H10N2O.C2H6/c1-4-8-5-6(2)9-7(3)10;1-2/h4-5H,1-2H2,3H3,(H,9,10);1-2H3/b8-5+;
InChIKeyKDCUDAQBLDBJES-HAAWTFQLSA-N
MW168.24 g/mol
LogP1.88
Rot. Bonds3

About ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide

ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide (PubChem CID 145084292) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide.

Molecular Properties

Compound Nameethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide
PubChem CID145084292
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide
SMILESC=C/N=C/C(=C)NC(C)=O.CC
InChIInChI=1S/C7H10N2O.C2H6/c1-4-8-5-6(2)9-7(3)10;1-2/h4-5H,1-2H2,3H3,(H,9,10);1-2H3/b8-5+;
InChIKeyKDCUDAQBLDBJES-HAAWTFQLSA-N
XLogP1.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.88
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

6-Methylpyrazin-2-ol
CID 285725
N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
CID 89156140
N-(3-methyliminoprop-1-en-2-yl)prop-2-enamide
CID 90098249
N-(2H-1,4-diazepin-6-yl)acetamide
CID 90891491
N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide
CID 123626288
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
ethane;N-[(E)-1-prop-2-ynyliminobut-2-en-2-yl]acetamide
CID 143328611
ethane;6-ethyl-1H-pyrazin-2-one
CID 143669024
ethane;6-methyl-1H-pyrazin-2-one
CID 143690096
ethane;6-methyl-1H-pyrazin-2-one
CID 144623429

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide?
The IUPAC name of ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide (CID 145084292) is ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide.
What is the SMILES notation for ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide?
The canonical SMILES for ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide is C=C/N=C/C(=C)NC(C)=O.CC.
What is the InChIKey of ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide?
The InChIKey is KDCUDAQBLDBJES-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-4-8-5-6(2)9-7(3)10;1-2/h4-5H,1-2H2,3H3,(H,9,10);1-2H3/b8-5+;.
What are the key properties of ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide?
ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide has a molecular weight of 168.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide is sourced from PubChem (CID 145084292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).