acetyl 2-hydroxyiminopropanoate

C5H7NO4 — CID 174342286

IUPACacetyl 2-hydroxyiminopropanoate
SMILESCC(=O)OC(=O)C(C)=NO
InChIInChI=1S/C5H7NO4/c1-3(6-9)5(8)10-4(2)7/h9H,1-2H3
InChIKeyLFNYSTFAADTXMD-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.07
Rot. Bonds1

About acetyl 2-hydroxyiminopropanoate

acetyl 2-hydroxyiminopropanoate (PubChem CID 174342286) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is acetyl 2-hydroxyiminopropanoate.

Molecular Properties

Compound Nameacetyl 2-hydroxyiminopropanoate
PubChem CID174342286
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Nameacetyl 2-hydroxyiminopropanoate
SMILESCC(=O)OC(=O)C(C)=NO
InChIInChI=1S/C5H7NO4/c1-3(6-9)5(8)10-4(2)7/h9H,1-2H3
InChIKeyLFNYSTFAADTXMD-UHFFFAOYSA-N
XLogP-0.07
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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

alumane;diacetyl oxalate
CID 173325871
ethyl 2-hydroxyiminopropanoate
CID 6399798
acetyl 2-oxopropanoate;nickel
CID 160677893
acetyl 2-oxopropanoate;platinum(2+)
CID 159497532
acetyl 2-oxopropanoate;chromium
CID 160975167
propyl 2-hydroxyiminopropanoate
CID 139796274
acetyl 2-methyl-4-oxopent-2-enoate
CID 175251426
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
acetyl 3-methyl-2-oxobutanoate
CID 154209478
calcium;acetyl 2-oxopropanoate;alumane;hydride
CID 174860382

Frequently Asked Questions

What is the IUPAC name of acetyl 2-hydroxyiminopropanoate?
The IUPAC name of acetyl 2-hydroxyiminopropanoate (CID 174342286) is acetyl 2-hydroxyiminopropanoate.
What is the SMILES notation for acetyl 2-hydroxyiminopropanoate?
The canonical SMILES for acetyl 2-hydroxyiminopropanoate is CC(=O)OC(=O)C(C)=NO.
What is the InChIKey of acetyl 2-hydroxyiminopropanoate?
The InChIKey is LFNYSTFAADTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c1-3(6-9)5(8)10-4(2)7/h9H,1-2H3.
What are the key properties of acetyl 2-hydroxyiminopropanoate?
acetyl 2-hydroxyiminopropanoate has a molecular weight of 145.11 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-hydroxyiminopropanoate is sourced from PubChem (CID 174342286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).