N'-hydroxyethanimidamide;hydrate

C2H8N2O2 — CID 173411510

IUPACN'-hydroxyethanimidamide;hydrate
SMILESCC(N)=NO.O
InChIInChI=1S/C2H6N2O.H2O/c1-2(3)4-5;/h5H,1H3,(H2,3,4);1H2
InChIKeyUOZXAYJXAWMIBZ-UHFFFAOYSA-N
MW92.10 g/mol
LogP-1.07
Rot. Bonds

About N'-hydroxyethanimidamide;hydrate

N'-hydroxyethanimidamide;hydrate (PubChem CID 173411510) has the molecular formula C2H8N2O2 and a molecular weight of 92.10 g/mol. Its IUPAC name is N'-hydroxyethanimidamide;hydrate.

Molecular Properties

Compound NameN'-hydroxyethanimidamide;hydrate
PubChem CID173411510
Molecular FormulaC2H8N2O2
Molecular Weight92.10 g/mol
Exact Mass92.06
IUPAC NameN'-hydroxyethanimidamide;hydrate
SMILESCC(N)=NO.O
InChIInChI=1S/C2H6N2O.H2O/c1-2(3)4-5;/h5H,1H3,(H2,3,4);1H2
InChIKeyUOZXAYJXAWMIBZ-UHFFFAOYSA-N
XLogP-1.07
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 5-1.07
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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Related Compounds

(E)-N'-Hydroxyacetimidamide
CID 5487681
N-Hydroxyacetamidine
CID 30926
N'-hydroxyethanimidamide
CID 5360664
N'-hydroxypropanimidamide
CID 6521662
N'-hydroxy(2H3)ethanimidamide
CID 167727876
N-Hydroxypropionimidamide
CID 4092053
Acetamidoxime, monohydrochloride
CID 9576935
Acetohydroxamic acid oxime
CID 74340108
(E)-N'-hydroxypropionimidamide
CID 6007839
Acetamidoxime sodium salt
CID 129783570
Acetamidoxime hydrochloride
CID 134589
N'-hydroxyethanimidamide hydrochloride
CID 5487680

Frequently Asked Questions

What is the IUPAC name of N'-hydroxyethanimidamide;hydrate?
The IUPAC name of N'-hydroxyethanimidamide;hydrate (CID 173411510) is N'-hydroxyethanimidamide;hydrate.
What is the SMILES notation for N'-hydroxyethanimidamide;hydrate?
The canonical SMILES for N'-hydroxyethanimidamide;hydrate is CC(N)=NO.O.
What is the InChIKey of N'-hydroxyethanimidamide;hydrate?
The InChIKey is UOZXAYJXAWMIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.H2O/c1-2(3)4-5;/h5H,1H3,(H2,3,4);1H2.
What are the key properties of N'-hydroxyethanimidamide;hydrate?
N'-hydroxyethanimidamide;hydrate has a molecular weight of 92.10 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxyethanimidamide;hydrate is sourced from PubChem (CID 173411510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).