O-(dideuteriomethyl)hydroxylamine

CH5NO — CID 167328414

IUPACO-(dideuteriomethyl)hydroxylamine
SMILES[2H]C([2H])ON
InChIInChI=1S/CH5NO/c1-3-2/h2H2,1H3/i1D2
InChIKeyGMPKIPWJBDOURN-DICFDUPASA-N
MW49.07 g/mol
LogP-0.49
Rot. Bonds1

About O-(dideuteriomethyl)hydroxylamine

O-(dideuteriomethyl)hydroxylamine (PubChem CID 167328414) has the molecular formula CH5NO and a molecular weight of 49.07 g/mol. Its IUPAC name is O-(dideuteriomethyl)hydroxylamine.

Molecular Properties

Compound NameO-(dideuteriomethyl)hydroxylamine
PubChem CID167328414
Molecular FormulaCH5NO
Molecular Weight49.07 g/mol
Exact Mass49.05
IUPAC NameO-(dideuteriomethyl)hydroxylamine
SMILES[2H]C([2H])ON
InChIInChI=1S/CH5NO/c1-3-2/h2H2,1H3/i1D2
InChIKeyGMPKIPWJBDOURN-DICFDUPASA-N
XLogP-0.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50049.07
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 159864860
CID 159864860
methanol;O-methylhydroxylamine
CID 161209502
O-methylhydroxylamine;propan-2-ol
CID 159942363
acetaldehyde;O-methylhydroxylamine
CID 157249940
1,1-dideuterioethyl 2,2,2-trideuterioacetate
CID 102174942
methanamine;palladium(2+);chloride
CID 23346710
1,1,2,2,2-pentadeuterioethyl propanoate
CID 171380525
1-aminooxypropan-2-one
CID 20700160
O-(3-aminooxy-2,3-dimethylbutan-2-yl)hydroxylamine
CID 121264961
O-[aminooxy(methyl)silyl]hydroxylamine
CID 123400857
1-aminopropan-2-one;azidomethane;O-methylhydroxylamine
CID 159740744
bis(butan-2-one);ethyl acetate
CID 162133586

Frequently Asked Questions

What is the IUPAC name of O-(dideuteriomethyl)hydroxylamine?
The IUPAC name of O-(dideuteriomethyl)hydroxylamine (CID 167328414) is O-(dideuteriomethyl)hydroxylamine.
What is the SMILES notation for O-(dideuteriomethyl)hydroxylamine?
The canonical SMILES for O-(dideuteriomethyl)hydroxylamine is [2H]C([2H])ON.
What is the InChIKey of O-(dideuteriomethyl)hydroxylamine?
The InChIKey is GMPKIPWJBDOURN-DICFDUPASA-N. The full InChI is InChI=1S/CH5NO/c1-3-2/h2H2,1H3/i1D2.
What are the key properties of O-(dideuteriomethyl)hydroxylamine?
O-(dideuteriomethyl)hydroxylamine has a molecular weight of 49.07 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(dideuteriomethyl)hydroxylamine is sourced from PubChem (CID 167328414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).