N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)

C14H20N2Y2-4 — CID 159228431

IUPACN-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)
SMILESC.C.C/[C-]=N/c1[c-]cccc1.[H]/[C-]=C/N=[C-]/C.[Y].[Y]
InChIInChI=1S/C8H7N.C4H5N.2CH4.2Y/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2;;;;/h3-6H,1H3;1,3H,2H3;2*1H4;;/q2*-2;;;;
InChIKeyBEUOAMRARQLHEC-UHFFFAOYSA-N
MW394.14 g/mol
LogP4.25
Rot. Bonds2

About N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)

N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium) (PubChem CID 159228431) has the molecular formula C14H20N2Y2-4 and a molecular weight of 394.14 g/mol. Its IUPAC name is N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium).

Molecular Properties

Compound NameN-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)
PubChem CID159228431
Molecular FormulaC14H20N2Y2-4
Molecular Weight394.14 g/mol
Exact Mass393.98
IUPAC NameN-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)
SMILESC.C.C/[C-]=N/c1[c-]cccc1.[H]/[C-]=C/N=[C-]/C.[Y].[Y]
InChIInChI=1S/C8H7N.C4H5N.2CH4.2Y/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2;;;;/h3-6H,1H3;1,3H,2H3;2*1H4;;/q2*-2;;;;
InChIKeyBEUOAMRARQLHEC-UHFFFAOYSA-N
XLogP4.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.14
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)?
The IUPAC name of N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium) (CID 159228431) is N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium).
What is the SMILES notation for N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)?
The canonical SMILES for N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium) is C.C.C/[C-]=N/c1[c-]cccc1.[H]/[C-]=C/N=[C-]/C.[Y].[Y].
What is the InChIKey of N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)?
The InChIKey is BEUOAMRARQLHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C4H5N.2CH4.2Y/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2;;;;/h3-6H,1H3;1,3H,2H3;2*1H4;;/q2*-2;;;;.
What are the key properties of N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium)?
N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium) has a molecular weight of 394.14 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylethanimine;methane;N-phenylethanimine;bis(yttrium) is sourced from PubChem (CID 159228431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).