N-(2-iminoethyl)prop-2-en-1-imine

C5H8N2 — CID 91371599

IUPACN-(2-iminoethyl)prop-2-en-1-imine
SMILES[H]/N=C/C/N=C/C=C
InChIInChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2-4,6H,1,5H2/b6-3+,7-4+
InChIKeyJRYLBTHJYVFZAO-XOKGJFMYSA-N
MW96.13 g/mol
LogP0.89
Rot. Bonds3

About N-(2-iminoethyl)prop-2-en-1-imine

N-(2-iminoethyl)prop-2-en-1-imine (PubChem CID 91371599) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N-(2-iminoethyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2-iminoethyl)prop-2-en-1-imine
PubChem CID91371599
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN-(2-iminoethyl)prop-2-en-1-imine
SMILES[H]/N=C/C/N=C/C=C
InChIInChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2-4,6H,1,5H2/b6-3+,7-4+
InChIKeyJRYLBTHJYVFZAO-XOKGJFMYSA-N
XLogP0.89
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-iminoethyl)prop-2-en-1-imine?
The IUPAC name of N-(2-iminoethyl)prop-2-en-1-imine (CID 91371599) is N-(2-iminoethyl)prop-2-en-1-imine.
What is the SMILES notation for N-(2-iminoethyl)prop-2-en-1-imine?
The canonical SMILES for N-(2-iminoethyl)prop-2-en-1-imine is [H]/N=C/C/N=C/C=C.
What is the InChIKey of N-(2-iminoethyl)prop-2-en-1-imine?
The InChIKey is JRYLBTHJYVFZAO-XOKGJFMYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2-4,6H,1,5H2/b6-3+,7-4+.
What are the key properties of N-(2-iminoethyl)prop-2-en-1-imine?
N-(2-iminoethyl)prop-2-en-1-imine has a molecular weight of 96.13 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminoethyl)prop-2-en-1-imine is sourced from PubChem (CID 91371599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).