acetaldehyde;O-methylhydroxylamine

C3H9NO2 — CID 157249940

IUPACacetaldehyde;O-methylhydroxylamine
SMILESCC=O.CON
InChIInChI=1S/C2H4O.CH5NO/c1-2-3;1-3-2/h2H,1H3;2H2,1H3
InChIKeyAWFKYCVQWWOJBT-UHFFFAOYSA-N
MW91.11 g/mol
LogP-0.29
Rot. Bonds

About acetaldehyde;O-methylhydroxylamine

acetaldehyde;O-methylhydroxylamine (PubChem CID 157249940) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is acetaldehyde;O-methylhydroxylamine.

Molecular Properties

Compound Nameacetaldehyde;O-methylhydroxylamine
PubChem CID157249940
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Nameacetaldehyde;O-methylhydroxylamine
SMILESCC=O.CON
InChIInChI=1S/C2H4O.CH5NO/c1-2-3;1-3-2/h2H,1H3;2H2,1H3
InChIKeyAWFKYCVQWWOJBT-UHFFFAOYSA-N
XLogP-0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde
CID 158130567
acetaldehyde;azane
CID 158638397
acetaldehyde;stibane
CID 173001465
acetaldehyde;germane
CID 173117793
acetaldehyde;gold
CID 173056569
acetaldehyde;bismuthane
CID 173068240
acetaldehyde;manganese
CID 172998417
CID 159864860
CID 159864860
acetaldehyde;amino hydrogen sulfite
CID 87411142
acetaldehyde;formaldehyde
CID 162213164
acetaldehyde;methanol
CID 19366238
potassium;acetaldehyde;chloride
CID 174943884

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;O-methylhydroxylamine?
The IUPAC name of acetaldehyde;O-methylhydroxylamine (CID 157249940) is acetaldehyde;O-methylhydroxylamine.
What is the SMILES notation for acetaldehyde;O-methylhydroxylamine?
The canonical SMILES for acetaldehyde;O-methylhydroxylamine is CC=O.CON.
What is the InChIKey of acetaldehyde;O-methylhydroxylamine?
The InChIKey is AWFKYCVQWWOJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.CH5NO/c1-2-3;1-3-2/h2H,1H3;2H2,1H3.
What are the key properties of acetaldehyde;O-methylhydroxylamine?
acetaldehyde;O-methylhydroxylamine has a molecular weight of 91.11 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;O-methylhydroxylamine is sourced from PubChem (CID 157249940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).