ethane;N'-hydroxyethanimidamide

C4H12N2O — CID 91042978

IUPACethane;N'-hydroxyethanimidamide
SMILESC/C(N)=N\O.CC
InChIInChI=1S/C2H6N2O.C2H6/c1-2(3)4-5;1-2/h5H,1H3,(H2,3,4);1-2H3
InChIKeyCFRYHROHYHQEEC-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.78
Rot. Bonds

About ethane;N'-hydroxyethanimidamide

ethane;N'-hydroxyethanimidamide (PubChem CID 91042978) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is ethane;N'-hydroxyethanimidamide.

Molecular Properties

Compound Nameethane;N'-hydroxyethanimidamide
PubChem CID91042978
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Nameethane;N'-hydroxyethanimidamide
SMILESC/C(N)=N\O.CC
InChIInChI=1S/C2H6N2O.C2H6/c1-2(3)4-5;1-2/h5H,1H3,(H2,3,4);1-2H3
InChIKeyCFRYHROHYHQEEC-UHFFFAOYSA-N
XLogP0.78
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.78
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 ethane;N'-hydroxyethanimidamide?
The IUPAC name of ethane;N'-hydroxyethanimidamide (CID 91042978) is ethane;N'-hydroxyethanimidamide.
What is the SMILES notation for ethane;N'-hydroxyethanimidamide?
The canonical SMILES for ethane;N'-hydroxyethanimidamide is C/C(N)=N\O.CC.
What is the InChIKey of ethane;N'-hydroxyethanimidamide?
The InChIKey is CFRYHROHYHQEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.C2H6/c1-2(3)4-5;1-2/h5H,1H3,(H2,3,4);1-2H3.
What are the key properties of ethane;N'-hydroxyethanimidamide?
ethane;N'-hydroxyethanimidamide has a molecular weight of 104.15 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-hydroxyethanimidamide is sourced from PubChem (CID 91042978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).