acetic acid;N-methylidenehydroxylamine

C3H7NO3 — CID 22247177

IUPACacetic acid;N-methylidenehydroxylamine
SMILESC=NO.CC(=O)O
InChIInChI=1S/C2H4O2.CH3NO/c1-2(3)4;1-2-3/h1H3,(H,3,4);3H,1H2
InChIKeyGGQRYIPSTSTRRC-UHFFFAOYSA-N
MW105.09 g/mol
LogP0.17
Rot. Bonds

About acetic acid;N-methylidenehydroxylamine

acetic acid;N-methylidenehydroxylamine (PubChem CID 22247177) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is acetic acid;N-methylidenehydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-methylidenehydroxylamine
PubChem CID22247177
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Nameacetic acid;N-methylidenehydroxylamine
SMILESC=NO.CC(=O)O
InChIInChI=1S/C2H4O2.CH3NO/c1-2(3)4;1-2-3/h1H3,(H,3,4);3H,1H2
InChIKeyGGQRYIPSTSTRRC-UHFFFAOYSA-N
XLogP0.17
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

acetic acid;ethene
CID 172797220
acetic acid
CID 158444727
acetic acid;2-methylprop-1-ene
CID 139328555
acetic acid;formaldehyde;hydrate
CID 19350045
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;cobalt
CID 54602348
acetic acid;ethane
CID 173070051
acetic acid;tris(yttrium)
CID 59994727
acetic acid;nickel(2+)
CID 22169473
acetic acid;cobalt
CID 59294242

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-methylidenehydroxylamine?
The IUPAC name of acetic acid;N-methylidenehydroxylamine (CID 22247177) is acetic acid;N-methylidenehydroxylamine.
What is the SMILES notation for acetic acid;N-methylidenehydroxylamine?
The canonical SMILES for acetic acid;N-methylidenehydroxylamine is C=NO.CC(=O)O.
What is the InChIKey of acetic acid;N-methylidenehydroxylamine?
The InChIKey is GGQRYIPSTSTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH3NO/c1-2(3)4;1-2-3/h1H3,(H,3,4);3H,1H2.
What are the key properties of acetic acid;N-methylidenehydroxylamine?
acetic acid;N-methylidenehydroxylamine has a molecular weight of 105.09 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-methylidenehydroxylamine is sourced from PubChem (CID 22247177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).