ethyl ethanimidate;methyl ethanimidate

C7H16N2O2 — CID 158461976

IUPACethyl ethanimidate;methyl ethanimidate
SMILES[H]/N=C(\C)OC.[H]/N=C(\C)OCC
InChIInChI=1S/C4H9NO.C3H7NO/c1-3-6-4(2)5;1-3(4)5-2/h5H,3H2,1-2H3;4H,1-2H3/b5-4+;4-3+
InChIKeyHFHFRSVEDYJVRZ-FKGCTPSKSA-N
MW160.22 g/mol
LogP1.65
Rot. Bonds1

About ethyl ethanimidate;methyl ethanimidate

ethyl ethanimidate;methyl ethanimidate (PubChem CID 158461976) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethyl ethanimidate;methyl ethanimidate.

Molecular Properties

Compound Nameethyl ethanimidate;methyl ethanimidate
PubChem CID158461976
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethyl ethanimidate;methyl ethanimidate
SMILES[H]/N=C(\C)OC.[H]/N=C(\C)OCC
InChIInChI=1S/C4H9NO.C3H7NO/c1-3-6-4(2)5;1-3(4)5-2/h5H,3H2,1-2H3;4H,1-2H3/b5-4+;4-3+
InChIKeyHFHFRSVEDYJVRZ-FKGCTPSKSA-N
XLogP1.65
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 ethyl ethanimidate;methyl ethanimidate?
The IUPAC name of ethyl ethanimidate;methyl ethanimidate (CID 158461976) is ethyl ethanimidate;methyl ethanimidate.
What is the SMILES notation for ethyl ethanimidate;methyl ethanimidate?
The canonical SMILES for ethyl ethanimidate;methyl ethanimidate is [H]/N=C(\C)OC.[H]/N=C(\C)OCC.
What is the InChIKey of ethyl ethanimidate;methyl ethanimidate?
The InChIKey is HFHFRSVEDYJVRZ-FKGCTPSKSA-N. The full InChI is InChI=1S/C4H9NO.C3H7NO/c1-3-6-4(2)5;1-3(4)5-2/h5H,3H2,1-2H3;4H,1-2H3/b5-4+;4-3+.
What are the key properties of ethyl ethanimidate;methyl ethanimidate?
ethyl ethanimidate;methyl ethanimidate has a molecular weight of 160.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl ethanimidate;methyl ethanimidate is sourced from PubChem (CID 158461976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).