methyl N-tert-butyl-2-oxoethanimidate

C7H13NO2 — CID 147551199

IUPACmethyl N-tert-butyl-2-oxoethanimidate
SMILESCO/C(C=O)=N\C(C)(C)C
InChIInChI=1S/C7H13NO2/c1-7(2,3)8-6(5-9)10-4/h5H,1-4H3/b8-6-
InChIKeyFQUPASGMVWPKCZ-VURMDHGXSA-N
MW143.19 g/mol
LogP1.03
Rot. Bonds1

About methyl N-tert-butyl-2-oxoethanimidate

methyl N-tert-butyl-2-oxoethanimidate (PubChem CID 147551199) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl N-tert-butyl-2-oxoethanimidate.

Molecular Properties

Compound Namemethyl N-tert-butyl-2-oxoethanimidate
PubChem CID147551199
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl N-tert-butyl-2-oxoethanimidate
SMILESCO/C(C=O)=N\C(C)(C)C
InChIInChI=1S/C7H13NO2/c1-7(2,3)8-6(5-9)10-4/h5H,1-4H3/b8-6-
InChIKeyFQUPASGMVWPKCZ-VURMDHGXSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-2-oxoethanimidate?
The IUPAC name of methyl N-tert-butyl-2-oxoethanimidate (CID 147551199) is methyl N-tert-butyl-2-oxoethanimidate.
What is the SMILES notation for methyl N-tert-butyl-2-oxoethanimidate?
The canonical SMILES for methyl N-tert-butyl-2-oxoethanimidate is CO/C(C=O)=N\C(C)(C)C.
What is the InChIKey of methyl N-tert-butyl-2-oxoethanimidate?
The InChIKey is FQUPASGMVWPKCZ-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,3)8-6(5-9)10-4/h5H,1-4H3/b8-6-.
What are the key properties of methyl N-tert-butyl-2-oxoethanimidate?
methyl N-tert-butyl-2-oxoethanimidate has a molecular weight of 143.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butyl-2-oxoethanimidate is sourced from PubChem (CID 147551199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).