N'-(ethenyliminomethyl)ethanimidamide

C5H9N3 — CID 88888742

IUPACN'-(ethenyliminomethyl)ethanimidamide
SMILESC=C/N=C/N=C(\C)N
InChIInChI=1S/C5H9N3/c1-3-7-4-8-5(2)6/h3-4H,1H2,2H3,(H2,6,7,8)
InChIKeyLQCRLOOGZKIXQC-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.54
Rot. Bonds2

About N'-(ethenyliminomethyl)ethanimidamide

N'-(ethenyliminomethyl)ethanimidamide (PubChem CID 88888742) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-(ethenyliminomethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(ethenyliminomethyl)ethanimidamide
PubChem CID88888742
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-(ethenyliminomethyl)ethanimidamide
SMILESC=C/N=C/N=C(\C)N
InChIInChI=1S/C5H9N3/c1-3-7-4-8-5(2)6/h3-4H,1H2,2H3,(H2,6,7,8)
InChIKeyLQCRLOOGZKIXQC-UHFFFAOYSA-N
XLogP0.54
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-(ethenyliminomethyl)ethanimidamide?
The IUPAC name of N'-(ethenyliminomethyl)ethanimidamide (CID 88888742) is N'-(ethenyliminomethyl)ethanimidamide.
What is the SMILES notation for N'-(ethenyliminomethyl)ethanimidamide?
The canonical SMILES for N'-(ethenyliminomethyl)ethanimidamide is C=C/N=C/N=C(\C)N.
What is the InChIKey of N'-(ethenyliminomethyl)ethanimidamide?
The InChIKey is LQCRLOOGZKIXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-7-4-8-5(2)6/h3-4H,1H2,2H3,(H2,6,7,8).
What are the key properties of N'-(ethenyliminomethyl)ethanimidamide?
N'-(ethenyliminomethyl)ethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethenyliminomethyl)ethanimidamide is sourced from PubChem (CID 88888742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).