ethanimidate;methane

C5H16NO- — CID 162090399

IUPACethanimidate;methane
SMILESC.C.C.[H]/N=C(\C)[O-]
InChIInChI=1S/C2H5NO.3CH4/c1-2(3)4;;;/h1H3,(H2,3,4);3*1H4/p-1
InChIKeyZDNITMMXEPKTAT-UHFFFAOYSA-M
MW106.19 g/mol
LogP1.25
Rot. Bonds

About ethanimidate;methane

ethanimidate;methane (PubChem CID 162090399) has the molecular formula C5H16NO- and a molecular weight of 106.19 g/mol. Its IUPAC name is ethanimidate;methane.

Molecular Properties

Compound Nameethanimidate;methane
PubChem CID162090399
Molecular FormulaC5H16NO-
Molecular Weight106.19 g/mol
Exact Mass106.12
IUPAC Nameethanimidate;methane
SMILESC.C.C.[H]/N=C(\C)[O-]
InChIInChI=1S/C2H5NO.3CH4/c1-2(3)4;;;/h1H3,(H2,3,4);3*1H4/p-1
InChIKeyZDNITMMXEPKTAT-UHFFFAOYSA-M
XLogP1.25
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of ethanimidate;methane?
The IUPAC name of ethanimidate;methane (CID 162090399) is ethanimidate;methane.
What is the SMILES notation for ethanimidate;methane?
The canonical SMILES for ethanimidate;methane is C.C.C.[H]/N=C(\C)[O-].
What is the InChIKey of ethanimidate;methane?
The InChIKey is ZDNITMMXEPKTAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO.3CH4/c1-2(3)4;;;/h1H3,(H2,3,4);3*1H4/p-1.
What are the key properties of ethanimidate;methane?
ethanimidate;methane has a molecular weight of 106.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidate;methane is sourced from PubChem (CID 162090399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).