N-[(Z)-3-aminobut-2-enylidene]acetamide

C6H10N2O — CID 88944313

IUPACN-[(Z)-3-aminobut-2-enylidene]acetamide
SMILESCC(=O)/N=C/C=C(/C)N
InChIInChI=1S/C6H10N2O/c1-5(7)3-4-8-6(2)9/h3-4H,7H2,1-2H3/b5-3-,8-4+
InChIKeyMGAGFNUREXSVEH-VOGDQUTBSA-N
MW126.16 g/mol
LogP0.47
Rot. Bonds1

About N-[(Z)-3-aminobut-2-enylidene]acetamide

N-[(Z)-3-aminobut-2-enylidene]acetamide (PubChem CID 88944313) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-[(Z)-3-aminobut-2-enylidene]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-aminobut-2-enylidene]acetamide
PubChem CID88944313
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-[(Z)-3-aminobut-2-enylidene]acetamide
SMILESCC(=O)/N=C/C=C(/C)N
InChIInChI=1S/C6H10N2O/c1-5(7)3-4-8-6(2)9/h3-4H,7H2,1-2H3/b5-3-,8-4+
InChIKeyMGAGFNUREXSVEH-VOGDQUTBSA-N
XLogP0.47
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.47
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-(2H-1,4-diazepin-6-yl)acetamide
CID 90891491
2-[(Z)-but-2-en-2-yl]imino-N-hydroxyacetamide
CID 118043655
N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]acetamide
CID 137490373
2-[(Z)-pent-2-en-2-yl]iminoacetamide
CID 142077923
acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 144519306
2-(3-Aminobut-2-enylideneamino)-2-methylpropanamide
CID 153714849
ethane;N-[(E)-1-methyliminobut-2-en-2-yl]acetamide
CID 170568844
ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen
CID 170752129
1-(3-Aminobut-2-enylideneamino)propan-2-one
CID 173477928
2-(3-Aminobut-2-enylideneamino)acetaldehyde
CID 173477930
2-(3-Aminobut-2-enylideneamino)acetamide
CID 173480035
N-(4-iminobut-2-en-2-yl)acetamide
CID 173515650

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-aminobut-2-enylidene]acetamide?
The IUPAC name of N-[(Z)-3-aminobut-2-enylidene]acetamide (CID 88944313) is N-[(Z)-3-aminobut-2-enylidene]acetamide.
What is the SMILES notation for N-[(Z)-3-aminobut-2-enylidene]acetamide?
The canonical SMILES for N-[(Z)-3-aminobut-2-enylidene]acetamide is CC(=O)/N=C/C=C(/C)N.
What is the InChIKey of N-[(Z)-3-aminobut-2-enylidene]acetamide?
The InChIKey is MGAGFNUREXSVEH-VOGDQUTBSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(7)3-4-8-6(2)9/h3-4H,7H2,1-2H3/b5-3-,8-4+.
What are the key properties of N-[(Z)-3-aminobut-2-enylidene]acetamide?
N-[(Z)-3-aminobut-2-enylidene]acetamide has a molecular weight of 126.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-aminobut-2-enylidene]acetamide is sourced from PubChem (CID 88944313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).