bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate

C11H17NO5 — CID 121263061

IUPACbis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
SMILESC=CCOC(=O)C(C)(CON)C(=O)OCC=C
InChIInChI=1S/C11H17NO5/c1-4-6-15-9(13)11(3,8-17-12)10(14)16-7-5-2/h4-5H,1-2,6-8,12H2,3H3
InChIKeyIKRUAOXUFHUOOP-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.34
Rot. Bonds8

About bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate

bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate (PubChem CID 121263061) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
PubChem CID121263061
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namebis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
SMILESC=CCOC(=O)C(C)(CON)C(=O)OCC=C
InChIInChI=1S/C11H17NO5/c1-4-6-15-9(13)11(3,8-17-12)10(14)16-7-5-2/h4-5H,1-2,6-8,12H2,3H3
InChIKeyIKRUAOXUFHUOOP-UHFFFAOYSA-N
XLogP0.34
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate?
The IUPAC name of bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate (CID 121263061) is bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate is C=CCOC(=O)C(C)(CON)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate?
The InChIKey is IKRUAOXUFHUOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-4-6-15-9(13)11(3,8-17-12)10(14)16-7-5-2/h4-5H,1-2,6-8,12H2,3H3.
What are the key properties of bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate?
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate has a molecular weight of 243.26 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate is sourced from PubChem (CID 121263061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).