ethyl 3-methoxyiminobutanoate

C7H13NO3 — CID 73185894

IUPACethyl 3-methoxyiminobutanoate
SMILESCCOC(=O)CC(C)=NOC
InChIInChI=1S/C7H13NO3/c1-4-11-7(9)5-6(2)8-10-3/h4-5H2,1-3H3
InChIKeyFWTDBKLRKKJIOG-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.96
Rot. Bonds4

About ethyl 3-methoxyiminobutanoate

ethyl 3-methoxyiminobutanoate (PubChem CID 73185894) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 3-methoxyiminobutanoate.

Molecular Properties

Compound Nameethyl 3-methoxyiminobutanoate
PubChem CID73185894
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 3-methoxyiminobutanoate
SMILESCCOC(=O)CC(C)=NOC
InChIInChI=1S/C7H13NO3/c1-4-11-7(9)5-6(2)8-10-3/h4-5H2,1-3H3
InChIKeyFWTDBKLRKKJIOG-UHFFFAOYSA-N
XLogP0.96
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 ethyl 3-methoxyiminobutanoate?
The IUPAC name of ethyl 3-methoxyiminobutanoate (CID 73185894) is ethyl 3-methoxyiminobutanoate.
What is the SMILES notation for ethyl 3-methoxyiminobutanoate?
The canonical SMILES for ethyl 3-methoxyiminobutanoate is CCOC(=O)CC(C)=NOC.
What is the InChIKey of ethyl 3-methoxyiminobutanoate?
The InChIKey is FWTDBKLRKKJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-11-7(9)5-6(2)8-10-3/h4-5H2,1-3H3.
What are the key properties of ethyl 3-methoxyiminobutanoate?
ethyl 3-methoxyiminobutanoate has a molecular weight of 159.18 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxyiminobutanoate is sourced from PubChem (CID 73185894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).