dimethyl 2-methoxycarbonyloxyiminopropanedioate

C7H9NO7 — CID 13230194

IUPACdimethyl 2-methoxycarbonyloxyiminopropanedioate
SMILESCOC(=O)ON=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C7H9NO7/c1-12-5(9)4(6(10)13-2)8-15-7(11)14-3/h1-3H3
InChIKeyBAZWWGPUSGZVHP-UHFFFAOYSA-N
MW219.15 g/mol
LogP-0.53
Rot. Bonds3

About dimethyl 2-methoxycarbonyloxyiminopropanedioate

dimethyl 2-methoxycarbonyloxyiminopropanedioate (PubChem CID 13230194) has the molecular formula C7H9NO7 and a molecular weight of 219.15 g/mol. Its IUPAC name is dimethyl 2-methoxycarbonyloxyiminopropanedioate.

Molecular Properties

Compound Namedimethyl 2-methoxycarbonyloxyiminopropanedioate
PubChem CID13230194
Molecular FormulaC7H9NO7
Molecular Weight219.15 g/mol
Exact Mass219.04
IUPAC Namedimethyl 2-methoxycarbonyloxyiminopropanedioate
SMILESCOC(=O)ON=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C7H9NO7/c1-12-5(9)4(6(10)13-2)8-15-7(11)14-3/h1-3H3
InChIKeyBAZWWGPUSGZVHP-UHFFFAOYSA-N
XLogP-0.53
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 dimethyl 2-methoxycarbonyloxyiminopropanedioate?
The IUPAC name of dimethyl 2-methoxycarbonyloxyiminopropanedioate (CID 13230194) is dimethyl 2-methoxycarbonyloxyiminopropanedioate.
What is the SMILES notation for dimethyl 2-methoxycarbonyloxyiminopropanedioate?
The canonical SMILES for dimethyl 2-methoxycarbonyloxyiminopropanedioate is COC(=O)ON=C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methoxycarbonyloxyiminopropanedioate?
The InChIKey is BAZWWGPUSGZVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO7/c1-12-5(9)4(6(10)13-2)8-15-7(11)14-3/h1-3H3.
What are the key properties of dimethyl 2-methoxycarbonyloxyiminopropanedioate?
dimethyl 2-methoxycarbonyloxyiminopropanedioate has a molecular weight of 219.15 g/mol, XLogP of -0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxycarbonyloxyiminopropanedioate is sourced from PubChem (CID 13230194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).