N'-hydroxybut-2-enimidamide

C4H8N2O — CID 91580832

IUPACN'-hydroxybut-2-enimidamide
SMILESCC=CC(N)=NO
InChIInChI=1S/C4H8N2O/c1-2-3-4(5)6-7/h2-3,7H,1H3,(H2,5,6)
InChIKeyOMNNOACKEKNERU-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.31
Rot. Bonds1

About N'-hydroxybut-2-enimidamide

N'-hydroxybut-2-enimidamide (PubChem CID 91580832) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N'-hydroxybut-2-enimidamide.

Molecular Properties

Compound NameN'-hydroxybut-2-enimidamide
PubChem CID91580832
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN'-hydroxybut-2-enimidamide
SMILESCC=CC(N)=NO
InChIInChI=1S/C4H8N2O/c1-2-3-4(5)6-7/h2-3,7H,1H3,(H2,5,6)
InChIKeyOMNNOACKEKNERU-UHFFFAOYSA-N
XLogP0.31
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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': '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-2-enimidamide?
The IUPAC name of N'-hydroxybut-2-enimidamide (CID 91580832) is N'-hydroxybut-2-enimidamide.
What is the SMILES notation for N'-hydroxybut-2-enimidamide?
The canonical SMILES for N'-hydroxybut-2-enimidamide is CC=CC(N)=NO.
What is the InChIKey of N'-hydroxybut-2-enimidamide?
The InChIKey is OMNNOACKEKNERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3-4(5)6-7/h2-3,7H,1H3,(H2,5,6).
What are the key properties of N'-hydroxybut-2-enimidamide?
N'-hydroxybut-2-enimidamide has a molecular weight of 100.12 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybut-2-enimidamide is sourced from PubChem (CID 91580832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).