N',3-dihydroxybutanimidamide

C4H10N2O2 — CID 54561158

IUPACN',3-dihydroxybutanimidamide
SMILESCC(O)CC(N)=NO
InChIInChI=1S/C4H10N2O2/c1-3(7)2-4(5)6-8/h3,7-8H,2H2,1H3,(H2,5,6)
InChIKeyZQQFGDIJTQTKRO-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.50
Rot. Bonds2

About N',3-dihydroxybutanimidamide

N',3-dihydroxybutanimidamide (PubChem CID 54561158) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is N',3-dihydroxybutanimidamide.

Molecular Properties

Compound NameN',3-dihydroxybutanimidamide
PubChem CID54561158
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC NameN',3-dihydroxybutanimidamide
SMILESCC(O)CC(N)=NO
InChIInChI=1S/C4H10N2O2/c1-3(7)2-4(5)6-8/h3,7-8H,2H2,1H3,(H2,5,6)
InChIKeyZQQFGDIJTQTKRO-UHFFFAOYSA-N
XLogP-0.50
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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',3-dihydroxybutanimidamide?
The IUPAC name of N',3-dihydroxybutanimidamide (CID 54561158) is N',3-dihydroxybutanimidamide.
What is the SMILES notation for N',3-dihydroxybutanimidamide?
The canonical SMILES for N',3-dihydroxybutanimidamide is CC(O)CC(N)=NO.
What is the InChIKey of N',3-dihydroxybutanimidamide?
The InChIKey is ZQQFGDIJTQTKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3(7)2-4(5)6-8/h3,7-8H,2H2,1H3,(H2,5,6).
What are the key properties of N',3-dihydroxybutanimidamide?
N',3-dihydroxybutanimidamide has a molecular weight of 118.14 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dihydroxybutanimidamide is sourced from PubChem (CID 54561158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).