N'-hydroxybut-3-enimidamide

C4H8N2O — CID 4695497

IUPACN'-hydroxybut-3-enimidamide
SMILESC=CCC(N)=NO
InChIInChI=1S/C4H8N2O/c1-2-3-4(5)6-7/h2,7H,1,3H2,(H2,5,6)
InChIKeyLOBINSPKFWJZOJ-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.31
Rot. Bonds2

About N'-hydroxybut-3-enimidamide

N'-hydroxybut-3-enimidamide (PubChem CID 4695497) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N'-hydroxybut-3-enimidamide.

Molecular Properties

Compound NameN'-hydroxybut-3-enimidamide
PubChem CID4695497
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN'-hydroxybut-3-enimidamide
SMILESC=CCC(N)=NO
InChIInChI=1S/C4H8N2O/c1-2-3-4(5)6-7/h2,7H,1,3H2,(H2,5,6)
InChIKeyLOBINSPKFWJZOJ-UHFFFAOYSA-N
XLogP0.31
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxybut-3-enimidamide?
The IUPAC name of N'-hydroxybut-3-enimidamide (CID 4695497) is N'-hydroxybut-3-enimidamide.
What is the SMILES notation for N'-hydroxybut-3-enimidamide?
The canonical SMILES for N'-hydroxybut-3-enimidamide is C=CCC(N)=NO.
What is the InChIKey of N'-hydroxybut-3-enimidamide?
The InChIKey is LOBINSPKFWJZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3-4(5)6-7/h2,7H,1,3H2,(H2,5,6).
What are the key properties of N'-hydroxybut-3-enimidamide?
N'-hydroxybut-3-enimidamide has a molecular weight of 100.12 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybut-3-enimidamide is sourced from PubChem (CID 4695497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).