N,N'-dihydroxyethanimidamide

C2H6N2O2 — CID 74340108

IUPACN,N'-dihydroxyethanimidamide
SMILESCC(=NO)NO
InChIInChI=1S/C2H6N2O2/c1-2(3-5)4-6/h5-6H,1H3,(H,3,4)
InChIKeyCEMNRPYPLBVCAS-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.23
Rot. Bonds

About N,N'-dihydroxyethanimidamide

N,N'-dihydroxyethanimidamide (PubChem CID 74340108) has the molecular formula C2H6N2O2 and a molecular weight of 90.08 g/mol. Its IUPAC name is N,N'-dihydroxyethanimidamide.

Molecular Properties

Compound NameN,N'-dihydroxyethanimidamide
PubChem CID74340108
Molecular FormulaC2H6N2O2
Molecular Weight90.08 g/mol
Exact Mass90.04
IUPAC NameN,N'-dihydroxyethanimidamide
SMILESCC(=NO)NO
InChIInChI=1S/C2H6N2O2/c1-2(3-5)4-6/h5-6H,1H3,(H,3,4)
InChIKeyCEMNRPYPLBVCAS-UHFFFAOYSA-N
XLogP-0.23
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.23
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,N'-dihydroxyethanimidamide?
The IUPAC name of N,N'-dihydroxyethanimidamide (CID 74340108) is N,N'-dihydroxyethanimidamide.
What is the SMILES notation for N,N'-dihydroxyethanimidamide?
The canonical SMILES for N,N'-dihydroxyethanimidamide is CC(=NO)NO.
What is the InChIKey of N,N'-dihydroxyethanimidamide?
The InChIKey is CEMNRPYPLBVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2/c1-2(3-5)4-6/h5-6H,1H3,(H,3,4).
What are the key properties of N,N'-dihydroxyethanimidamide?
N,N'-dihydroxyethanimidamide has a molecular weight of 90.08 g/mol, XLogP of -0.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihydroxyethanimidamide is sourced from PubChem (CID 74340108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).