(3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile

C8H10N2 — CID 89385044

IUPAC(3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile
SMILESC/C=N/C=C\C=C\CC#N
InChIInChI=1S/C8H10N2/c1-2-10-8-6-4-3-5-7-9/h2-4,6,8H,5H2,1H3/b4-3+,8-6-,10-2+
InChIKeyPWAIQRNCZCTMSX-ANWYSYHSSA-N
MW134.18 g/mol
LogP2.06
Rot. Bonds3

About (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile

(3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile (PubChem CID 89385044) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile.

Molecular Properties

Compound Name(3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile
PubChem CID89385044
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile
SMILESC/C=N/C=C\C=C\CC#N
InChIInChI=1S/C8H10N2/c1-2-10-8-6-4-3-5-7-9/h2-4,6,8H,5H2,1H3/b4-3+,8-6-,10-2+
InChIKeyPWAIQRNCZCTMSX-ANWYSYHSSA-N
XLogP2.06
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile?
The IUPAC name of (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile (CID 89385044) is (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile.
What is the SMILES notation for (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile?
The canonical SMILES for (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile is C/C=N/C=C\C=C\CC#N.
What is the InChIKey of (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile?
The InChIKey is PWAIQRNCZCTMSX-ANWYSYHSSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-10-8-6-4-3-5-7-9/h2-4,6,8H,5H2,1H3/b4-3+,8-6-,10-2+.
What are the key properties of (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile?
(3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile has a molecular weight of 134.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-(ethylideneamino)hexa-3,5-dienenitrile is sourced from PubChem (CID 89385044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).