ethyl N-acetylethanimidate

C6H11NO2 — CID 10011919

IUPACethyl N-acetylethanimidate
SMILESCCO/C(C)=N/C(C)=O
InChIInChI=1S/C6H11NO2/c1-4-9-6(3)7-5(2)8/h4H2,1-3H3/b7-6+
InChIKeyNQHZOOXXKRQTFD-VOTSOKGWSA-N
MW129.16 g/mol
LogP0.99
Rot. Bonds1

About ethyl N-acetylethanimidate

ethyl N-acetylethanimidate (PubChem CID 10011919) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl N-acetylethanimidate.

Molecular Properties

Compound Nameethyl N-acetylethanimidate
PubChem CID10011919
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl N-acetylethanimidate
SMILESCCO/C(C)=N/C(C)=O
InChIInChI=1S/C6H11NO2/c1-4-9-6(3)7-5(2)8/h4H2,1-3H3/b7-6+
InChIKeyNQHZOOXXKRQTFD-VOTSOKGWSA-N
XLogP0.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(methylcarbamoyl)ethanimidate
CID 71371066
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl (1E)-ethanehydrazonate
CID 57432796
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
bis(butan-2-one);ethyl acetate
CID 162133586
CID 159689459
CID 159689459
methyl 2-(1-ethoxyethylideneamino)acetate
CID 10986527
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;octacontahydrate
CID 173010859

Frequently Asked Questions

What is the IUPAC name of ethyl N-acetylethanimidate?
The IUPAC name of ethyl N-acetylethanimidate (CID 10011919) is ethyl N-acetylethanimidate.
What is the SMILES notation for ethyl N-acetylethanimidate?
The canonical SMILES for ethyl N-acetylethanimidate is CCO/C(C)=N/C(C)=O.
What is the InChIKey of ethyl N-acetylethanimidate?
The InChIKey is NQHZOOXXKRQTFD-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-9-6(3)7-5(2)8/h4H2,1-3H3/b7-6+.
What are the key properties of ethyl N-acetylethanimidate?
ethyl N-acetylethanimidate has a molecular weight of 129.16 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-acetylethanimidate is sourced from PubChem (CID 10011919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).