N'-hydroxypropanimidamide

C3H8N2O — CID 4092053

IUPACN'-hydroxypropanimidamide
SMILESCCC(N)=NO
InChIInChI=1S/C3H8N2O/c1-2-3(4)5-6/h6H,2H2,1H3,(H2,4,5)
InChIKeyRLZPCFQNZGINRP-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.14
Rot. Bonds1

About N'-hydroxypropanimidamide

N'-hydroxypropanimidamide (PubChem CID 4092053) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is N'-hydroxypropanimidamide.

Molecular Properties

Compound NameN'-hydroxypropanimidamide
PubChem CID4092053
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC NameN'-hydroxypropanimidamide
SMILESCCC(N)=NO
InChIInChI=1S/C3H8N2O/c1-2-3(4)5-6/h6H,2H2,1H3,(H2,4,5)
InChIKeyRLZPCFQNZGINRP-UHFFFAOYSA-N
XLogP0.14
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.14
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'-hydroxypropanimidamide?
The IUPAC name of N'-hydroxypropanimidamide (CID 4092053) is N'-hydroxypropanimidamide.
What is the SMILES notation for N'-hydroxypropanimidamide?
The canonical SMILES for N'-hydroxypropanimidamide is CCC(N)=NO.
What is the InChIKey of N'-hydroxypropanimidamide?
The InChIKey is RLZPCFQNZGINRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c1-2-3(4)5-6/h6H,2H2,1H3,(H2,4,5).
What are the key properties of N'-hydroxypropanimidamide?
N'-hydroxypropanimidamide has a molecular weight of 88.11 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxypropanimidamide is sourced from PubChem (CID 4092053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).