N'-chloro-N-hydroxyethanimidamide

C2H5ClN2O — CID 87955097

IUPACN'-chloro-N-hydroxyethanimidamide
SMILESCC(=NCl)NO
InChIInChI=1S/C2H5ClN2O/c1-2(4-3)5-6/h6H,1H3,(H,4,5)
InChIKeyVBBZCFUSOHTQAW-UHFFFAOYSA-N
MW108.53 g/mol
LogP0.54
Rot. Bonds

About N'-chloro-N-hydroxyethanimidamide

N'-chloro-N-hydroxyethanimidamide (PubChem CID 87955097) has the molecular formula C2H5ClN2O and a molecular weight of 108.53 g/mol. Its IUPAC name is N'-chloro-N-hydroxyethanimidamide.

Molecular Properties

Compound NameN'-chloro-N-hydroxyethanimidamide
PubChem CID87955097
Molecular FormulaC2H5ClN2O
Molecular Weight108.53 g/mol
Exact Mass108.01
IUPAC NameN'-chloro-N-hydroxyethanimidamide
SMILESCC(=NCl)NO
InChIInChI=1S/C2H5ClN2O/c1-2(4-3)5-6/h6H,1H3,(H,4,5)
InChIKeyVBBZCFUSOHTQAW-UHFFFAOYSA-N
XLogP0.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.53
LogP ≤ 50.54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-chloro-N-hydroxyethanimidamide?
The IUPAC name of N'-chloro-N-hydroxyethanimidamide (CID 87955097) is N'-chloro-N-hydroxyethanimidamide.
What is the SMILES notation for N'-chloro-N-hydroxyethanimidamide?
The canonical SMILES for N'-chloro-N-hydroxyethanimidamide is CC(=NCl)NO.
What is the InChIKey of N'-chloro-N-hydroxyethanimidamide?
The InChIKey is VBBZCFUSOHTQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClN2O/c1-2(4-3)5-6/h6H,1H3,(H,4,5).
What are the key properties of N'-chloro-N-hydroxyethanimidamide?
N'-chloro-N-hydroxyethanimidamide has a molecular weight of 108.53 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-N-hydroxyethanimidamide is sourced from PubChem (CID 87955097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).