but-3-enimidamide

C4H8N2 — CID 4056230

IUPACbut-3-enimidamide
SMILES[H]/N=C(/N)CC=C
InChIInChI=1S/C4H8N2/c1-2-3-4(5)6/h2H,1,3H2,(H3,5,6)
InChIKeyHBZBZNLEVRPSRL-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.50
Rot. Bonds2

About but-3-enimidamide

but-3-enimidamide (PubChem CID 4056230) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is but-3-enimidamide.

Molecular Properties

Compound Namebut-3-enimidamide
PubChem CID4056230
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Namebut-3-enimidamide
SMILES[H]/N=C(/N)CC=C
InChIInChI=1S/C4H8N2/c1-2-3-4(5)6/h2H,1,3H2,(H3,5,6)
InChIKeyHBZBZNLEVRPSRL-UHFFFAOYSA-N
XLogP0.50
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enimidamide?
The IUPAC name of but-3-enimidamide (CID 4056230) is but-3-enimidamide.
What is the SMILES notation for but-3-enimidamide?
The canonical SMILES for but-3-enimidamide is [H]/N=C(/N)CC=C.
What is the InChIKey of but-3-enimidamide?
The InChIKey is HBZBZNLEVRPSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-2-3-4(5)6/h2H,1,3H2,(H3,5,6).
What are the key properties of but-3-enimidamide?
but-3-enimidamide has a molecular weight of 84.12 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enimidamide is sourced from PubChem (CID 4056230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).