(2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile

C8H10N2O — CID 146259619

IUPAC(2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile
SMILESC=N/C(C#N)=C\C=C(/C)OC
InChIInChI=1S/C8H10N2O/c1-7(11-3)4-5-8(6-9)10-2/h4-5H,2H2,1,3H3/b7-4+,8-5-
InChIKeyVCSSCDCHLHEDJQ-NIQPXEJBSA-N
MW150.18 g/mol
LogP1.64
Rot. Bonds3

About (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile

(2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile (PubChem CID 146259619) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile
PubChem CID146259619
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile
SMILESC=N/C(C#N)=C\C=C(/C)OC
InChIInChI=1S/C8H10N2O/c1-7(11-3)4-5-8(6-9)10-2/h4-5H,2H2,1,3H3/b7-4+,8-5-
InChIKeyVCSSCDCHLHEDJQ-NIQPXEJBSA-N
XLogP1.64
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile (CID 146259619) is (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile is C=N/C(C#N)=C\C=C(/C)OC.
What is the InChIKey of (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile?
The InChIKey is VCSSCDCHLHEDJQ-NIQPXEJBSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(11-3)4-5-8(6-9)10-2/h4-5H,2H2,1,3H3/b7-4+,8-5-.
What are the key properties of (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile?
(2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile has a molecular weight of 150.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-methoxy-2-(methylideneamino)hexa-2,4-dienenitrile is sourced from PubChem (CID 146259619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).