propyl 2-hydroxyiminopropanoate

C6H11NO3 — CID 139796274

IUPACpropyl 2-hydroxyiminopropanoate
SMILESCCCOC(=O)C(C)=NO
InChIInChI=1S/C6H11NO3/c1-3-4-10-6(8)5(2)7-9/h9H,3-4H2,1-2H3
InChIKeyAWHGRZAZWMLISO-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.79
Rot. Bonds3

About propyl 2-hydroxyiminopropanoate

propyl 2-hydroxyiminopropanoate (PubChem CID 139796274) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is propyl 2-hydroxyiminopropanoate.

Molecular Properties

Compound Namepropyl 2-hydroxyiminopropanoate
PubChem CID139796274
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namepropyl 2-hydroxyiminopropanoate
SMILESCCCOC(=O)C(C)=NO
InChIInChI=1S/C6H11NO3/c1-3-4-10-6(8)5(2)7-9/h9H,3-4H2,1-2H3
InChIKeyAWHGRZAZWMLISO-UHFFFAOYSA-N
XLogP0.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 2-hydroxyiminopropanoate
CID 6399798
1-O-ethyl 2-O-propyl oxalate
CID 6420312
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
propyl acetate;hydrate
CID 122690555
hydrazine;2-oxo-2-propoxyacetate
CID 22449370
sodium propyl 2,4-dioxopentanoate
CID 91996636
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate
CID 172962634
acetyl 2-hydroxyiminopropanoate
CID 174342286
propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
propyl 4-bromo-2-methylbut-2-enoate
CID 173164924

Frequently Asked Questions

What is the IUPAC name of propyl 2-hydroxyiminopropanoate?
The IUPAC name of propyl 2-hydroxyiminopropanoate (CID 139796274) is propyl 2-hydroxyiminopropanoate.
What is the SMILES notation for propyl 2-hydroxyiminopropanoate?
The canonical SMILES for propyl 2-hydroxyiminopropanoate is CCCOC(=O)C(C)=NO.
What is the InChIKey of propyl 2-hydroxyiminopropanoate?
The InChIKey is AWHGRZAZWMLISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-4-10-6(8)5(2)7-9/h9H,3-4H2,1-2H3.
What are the key properties of propyl 2-hydroxyiminopropanoate?
propyl 2-hydroxyiminopropanoate has a molecular weight of 145.16 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-hydroxyiminopropanoate is sourced from PubChem (CID 139796274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).