(NZ)-N-(1-deuterioethylidene)hydroxylamine

C2H5NO — CID 134886249

IUPAC(NZ)-N-(1-deuterioethylidene)hydroxylamine
SMILES[2H]/C(C)=N/O
InChIInChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2-/i2D
InChIKeyFZENGILVLUJGJX-YBZVBWJGSA-N
MW60.07 g/mol
LogP0.47
Rot. Bonds

About (NZ)-N-(1-deuterioethylidene)hydroxylamine

(NZ)-N-(1-deuterioethylidene)hydroxylamine (PubChem CID 134886249) has the molecular formula C2H5NO and a molecular weight of 60.07 g/mol. Its IUPAC name is (NZ)-N-(1-deuterioethylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-deuterioethylidene)hydroxylamine
PubChem CID134886249
Molecular FormulaC2H5NO
Molecular Weight60.07 g/mol
Exact Mass60.04
IUPAC Name(NZ)-N-(1-deuterioethylidene)hydroxylamine
SMILES[2H]/C(C)=N/O
InChIInChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2-/i2D
InChIKeyFZENGILVLUJGJX-YBZVBWJGSA-N
XLogP0.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.07
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Aldoxime
CID 7863
Glyoxime
CID 135495951
Acetaldehyde oxime, (1E)-
CID 5324279
Ethylnitronate
CID 5748355
Pik-Off
CID 135409852
Propionaldehyde oxime
CID 641641
(1z)-Propanal Oxime
CID 5324472
(Z)-acetaldehyde oxime
CID 5324280
(NE)-N-propylidenehydroxylamine
CID 5324471
aci-Nitroathan
CID 3082245
Ethylnitronate ylide
CID 6852034
Acetaldehyde, O-methyloxime
CID 535486

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-deuterioethylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-deuterioethylidene)hydroxylamine (CID 134886249) is (NZ)-N-(1-deuterioethylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-deuterioethylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-deuterioethylidene)hydroxylamine is [2H]/C(C)=N/O.
What is the InChIKey of (NZ)-N-(1-deuterioethylidene)hydroxylamine?
The InChIKey is FZENGILVLUJGJX-YBZVBWJGSA-N. The full InChI is InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2-/i2D.
What are the key properties of (NZ)-N-(1-deuterioethylidene)hydroxylamine?
(NZ)-N-(1-deuterioethylidene)hydroxylamine has a molecular weight of 60.07 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-deuterioethylidene)hydroxylamine is sourced from PubChem (CID 134886249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).