N-(5-methylideneimidazol-4-yl)ethanimine

C6H7N3 — CID 89161053

IUPACN-(5-methylideneimidazol-4-yl)ethanimine
SMILESC=C1N=CN=C1/N=C/C
InChIInChI=1S/C6H7N3/c1-3-7-6-5(2)8-4-9-6/h3-4H,2H2,1H3/b7-3+
InChIKeyPIIMXJGBICLFHL-XVNBXDOJSA-N
MW121.14 g/mol
LogP1.03
Rot. Bonds

About N-(5-methylideneimidazol-4-yl)ethanimine

N-(5-methylideneimidazol-4-yl)ethanimine (PubChem CID 89161053) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is N-(5-methylideneimidazol-4-yl)ethanimine.

Molecular Properties

Compound NameN-(5-methylideneimidazol-4-yl)ethanimine
PubChem CID89161053
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC NameN-(5-methylideneimidazol-4-yl)ethanimine
SMILESC=C1N=CN=C1/N=C/C
InChIInChI=1S/C6H7N3/c1-3-7-6-5(2)8-4-9-6/h3-4H,2H2,1H3/b7-3+
InChIKeyPIIMXJGBICLFHL-XVNBXDOJSA-N
XLogP1.03
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylideneimidazol-4-yl)ethanimine?
The IUPAC name of N-(5-methylideneimidazol-4-yl)ethanimine (CID 89161053) is N-(5-methylideneimidazol-4-yl)ethanimine.
What is the SMILES notation for N-(5-methylideneimidazol-4-yl)ethanimine?
The canonical SMILES for N-(5-methylideneimidazol-4-yl)ethanimine is C=C1N=CN=C1/N=C/C.
What is the InChIKey of N-(5-methylideneimidazol-4-yl)ethanimine?
The InChIKey is PIIMXJGBICLFHL-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H7N3/c1-3-7-6-5(2)8-4-9-6/h3-4H,2H2,1H3/b7-3+.
What are the key properties of N-(5-methylideneimidazol-4-yl)ethanimine?
N-(5-methylideneimidazol-4-yl)ethanimine has a molecular weight of 121.14 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylideneimidazol-4-yl)ethanimine is sourced from PubChem (CID 89161053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).