(E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile

C9H9N3 — CID 146359363

IUPAC(E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile
SMILESC=C(N)/C(C#N)=C\C(C#N)=C/C
InChIInChI=1S/C9H9N3/c1-3-8(5-10)4-9(6-11)7(2)12/h3-4H,2,12H2,1H3/b8-3+,9-4-
InChIKeyAPPHZBLAKAUEJK-CIONDUKHSA-N
MW159.19 g/mol
LogP1.38
Rot. Bonds2

About (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile

(E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile (PubChem CID 146359363) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile.

Molecular Properties

Compound Name(E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile
PubChem CID146359363
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name(E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile
SMILESC=C(N)/C(C#N)=C\C(C#N)=C/C
InChIInChI=1S/C9H9N3/c1-3-8(5-10)4-9(6-11)7(2)12/h3-4H,2,12H2,1H3/b8-3+,9-4-
InChIKeyAPPHZBLAKAUEJK-CIONDUKHSA-N
XLogP1.38
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile?
The IUPAC name of (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile (CID 146359363) is (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile.
What is the SMILES notation for (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile?
The canonical SMILES for (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile is C=C(N)/C(C#N)=C\C(C#N)=C/C.
What is the InChIKey of (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile?
The InChIKey is APPHZBLAKAUEJK-CIONDUKHSA-N. The full InChI is InChI=1S/C9H9N3/c1-3-8(5-10)4-9(6-11)7(2)12/h3-4H,2,12H2,1H3/b8-3+,9-4-.
What are the key properties of (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile?
(E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile has a molecular weight of 159.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-2-(1-aminoethenyl)-4-ethylidenepent-2-enedinitrile is sourced from PubChem (CID 146359363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).