2-ethenylimino-N'-methylethanimidamide

C5H9N3 — CID 142598082

IUPAC2-ethenylimino-N'-methylethanimidamide
SMILESC=C/N=C/C(N)=N/C
InChIInChI=1S/C5H9N3/c1-3-8-4-5(6)7-2/h3-4H,1H2,2H3,(H2,6,7)/b8-4+
InChIKeyMGFZMMCKLGITLW-XBXARRHUSA-N
MW111.15 g/mol
LogP0.19
Rot. Bonds2

About 2-ethenylimino-N'-methylethanimidamide

2-ethenylimino-N'-methylethanimidamide (PubChem CID 142598082) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-ethenylimino-N'-methylethanimidamide.

Molecular Properties

Compound Name2-ethenylimino-N'-methylethanimidamide
PubChem CID142598082
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-ethenylimino-N'-methylethanimidamide
SMILESC=C/N=C/C(N)=N/C
InChIInChI=1S/C5H9N3/c1-3-8-4-5(6)7-2/h3-4H,1H2,2H3,(H2,6,7)/b8-4+
InChIKeyMGFZMMCKLGITLW-XBXARRHUSA-N
XLogP0.19
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.19
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 2-ethenylimino-N'-methylethanimidamide?
The IUPAC name of 2-ethenylimino-N'-methylethanimidamide (CID 142598082) is 2-ethenylimino-N'-methylethanimidamide.
What is the SMILES notation for 2-ethenylimino-N'-methylethanimidamide?
The canonical SMILES for 2-ethenylimino-N'-methylethanimidamide is C=C/N=C/C(N)=N/C.
What is the InChIKey of 2-ethenylimino-N'-methylethanimidamide?
The InChIKey is MGFZMMCKLGITLW-XBXARRHUSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-8-4-5(6)7-2/h3-4H,1H2,2H3,(H2,6,7)/b8-4+.
What are the key properties of 2-ethenylimino-N'-methylethanimidamide?
2-ethenylimino-N'-methylethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N'-methylethanimidamide is sourced from PubChem (CID 142598082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).