(E)-N-[(E)-ethylideneamino]but-3-en-2-imine

C6H10N2 — CID 118403896

IUPAC(E)-N-[(E)-ethylideneamino]but-3-en-2-imine
SMILESC=C/C(C)=N\N=C\C
InChIInChI=1S/C6H10N2/c1-4-6(3)8-7-5-2/h4-5H,1H2,2-3H3/b7-5+,8-6-
InChIKeyHLZIIKPUOFPRAC-YMBWGVAGSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds2

About (E)-N-[(E)-ethylideneamino]but-3-en-2-imine

(E)-N-[(E)-ethylideneamino]but-3-en-2-imine (PubChem CID 118403896) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]but-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]but-3-en-2-imine
PubChem CID118403896
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(E)-N-[(E)-ethylideneamino]but-3-en-2-imine
SMILESC=C/C(C)=N\N=C\C
InChIInChI=1S/C6H10N2/c1-4-6(3)8-7-5-2/h4-5H,1H2,2-3H3/b7-5+,8-6-
InChIKeyHLZIIKPUOFPRAC-YMBWGVAGSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-ethylideneamino]but-3-en-2-imine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]but-3-en-2-imine (CID 118403896) is (E)-N-[(E)-ethylideneamino]but-3-en-2-imine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]but-3-en-2-imine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]but-3-en-2-imine is C=C/C(C)=N\N=C\C.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]but-3-en-2-imine?
The InChIKey is HLZIIKPUOFPRAC-YMBWGVAGSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(3)8-7-5-2/h4-5H,1H2,2-3H3/b7-5+,8-6-.
What are the key properties of (E)-N-[(E)-ethylideneamino]but-3-en-2-imine?
(E)-N-[(E)-ethylideneamino]but-3-en-2-imine has a molecular weight of 110.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-ethylideneamino]but-3-en-2-imine is sourced from PubChem (CID 118403896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).