2-(3-aminobut-2-enylideneamino)acetamide

C6H11N3O — CID 173480035

IUPAC2-(3-aminobut-2-enylideneamino)acetamide
SMILESCC(N)=C/C=N/CC(N)=O
InChIInChI=1S/C6H11N3O/c1-5(7)2-3-9-4-6(8)10/h2-3H,4,7H2,1H3,(H2,8,10)/b5-2?,9-3+
InChIKeyUBSHPYLDXUANOI-IKWWMRAOSA-N
MW141.17 g/mol
LogP-0.60
Rot. Bonds3

About 2-(3-aminobut-2-enylideneamino)acetamide

2-(3-aminobut-2-enylideneamino)acetamide (PubChem CID 173480035) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(3-aminobut-2-enylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-aminobut-2-enylideneamino)acetamide
PubChem CID173480035
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(3-aminobut-2-enylideneamino)acetamide
SMILESCC(N)=C/C=N/CC(N)=O
InChIInChI=1S/C6H11N3O/c1-5(7)2-3-9-4-6(8)10/h2-3H,4,7H2,1H3,(H2,8,10)/b5-2?,9-3+
InChIKeyUBSHPYLDXUANOI-IKWWMRAOSA-N
XLogP-0.60
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobut-2-enylideneamino)acetamide?
The IUPAC name of 2-(3-aminobut-2-enylideneamino)acetamide (CID 173480035) is 2-(3-aminobut-2-enylideneamino)acetamide.
What is the SMILES notation for 2-(3-aminobut-2-enylideneamino)acetamide?
The canonical SMILES for 2-(3-aminobut-2-enylideneamino)acetamide is CC(N)=C/C=N/CC(N)=O.
What is the InChIKey of 2-(3-aminobut-2-enylideneamino)acetamide?
The InChIKey is UBSHPYLDXUANOI-IKWWMRAOSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(7)2-3-9-4-6(8)10/h2-3H,4,7H2,1H3,(H2,8,10)/b5-2?,9-3+.
What are the key properties of 2-(3-aminobut-2-enylideneamino)acetamide?
2-(3-aminobut-2-enylideneamino)acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobut-2-enylideneamino)acetamide is sourced from PubChem (CID 173480035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).