(2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile

C8H10N2 — CID 89066197

IUPAC(2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile
SMILESC=C/C(N)=C\C(C#N)=C/C
InChIInChI=1S/C8H10N2/c1-3-7(6-9)5-8(10)4-2/h3-5H,2,10H2,1H3/b7-3+,8-5+
InChIKeyDBMZELMQDSRJAQ-IUMFQGNOSA-N
MW134.18 g/mol
LogP1.48
Rot. Bonds2

About (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile

(2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile (PubChem CID 89066197) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile.

Molecular Properties

Compound Name(2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile
PubChem CID89066197
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile
SMILESC=C/C(N)=C\C(C#N)=C/C
InChIInChI=1S/C8H10N2/c1-3-7(6-9)5-8(10)4-2/h3-5H,2,10H2,1H3/b7-3+,8-5+
InChIKeyDBMZELMQDSRJAQ-IUMFQGNOSA-N
XLogP1.48
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile?
The IUPAC name of (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile (CID 89066197) is (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile.
What is the SMILES notation for (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile?
The canonical SMILES for (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile is C=C/C(N)=C\C(C#N)=C/C.
What is the InChIKey of (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile?
The InChIKey is DBMZELMQDSRJAQ-IUMFQGNOSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7(6-9)5-8(10)4-2/h3-5H,2,10H2,1H3/b7-3+,8-5+.
What are the key properties of (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile?
(2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile has a molecular weight of 134.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-4-amino-2-ethylidenehexa-3,5-dienenitrile is sourced from PubChem (CID 89066197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).