2-(methyliminomethylimino)butanamide

C6H11N3O — CID 90245985

IUPAC2-(methyliminomethylimino)butanamide
SMILESCC/C(=N\C=N\C)C(N)=O
InChIInChI=1S/C6H11N3O/c1-3-5(6(7)10)9-4-8-2/h4H,3H2,1-2H3,(H2,7,10)/b8-4+,9-5+
InChIKeyVNMYPLYBFMAWFI-KBXRYBNXSA-N
MW141.17 g/mol
LogP-0.02
Rot. Bonds3

About 2-(methyliminomethylimino)butanamide

2-(methyliminomethylimino)butanamide (PubChem CID 90245985) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(methyliminomethylimino)butanamide.

Molecular Properties

Compound Name2-(methyliminomethylimino)butanamide
PubChem CID90245985
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(methyliminomethylimino)butanamide
SMILESCC/C(=N\C=N\C)C(N)=O
InChIInChI=1S/C6H11N3O/c1-3-5(6(7)10)9-4-8-2/h4H,3H2,1-2H3,(H2,7,10)/b8-4+,9-5+
InChIKeyVNMYPLYBFMAWFI-KBXRYBNXSA-N
XLogP-0.02
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methyliminomethylimino)butanamide?
The IUPAC name of 2-(methyliminomethylimino)butanamide (CID 90245985) is 2-(methyliminomethylimino)butanamide.
What is the SMILES notation for 2-(methyliminomethylimino)butanamide?
The canonical SMILES for 2-(methyliminomethylimino)butanamide is CC/C(=N\C=N\C)C(N)=O.
What is the InChIKey of 2-(methyliminomethylimino)butanamide?
The InChIKey is VNMYPLYBFMAWFI-KBXRYBNXSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-5(6(7)10)9-4-8-2/h4H,3H2,1-2H3,(H2,7,10)/b8-4+,9-5+.
What are the key properties of 2-(methyliminomethylimino)butanamide?
2-(methyliminomethylimino)butanamide has a molecular weight of 141.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyliminomethylimino)butanamide is sourced from PubChem (CID 90245985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).