(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine

C13H14N2 — CID 89112517

IUPAC(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
SMILESC=c1nccc/c1=C/C=C/C=C\C=N\C
InChIInChI=1S/C13H14N2/c1-12-13(9-7-11-15-12)8-5-3-4-6-10-14-2/h3-11H,1H2,2H3/b5-3+,6-4-,13-8-,14-10+
InChIKeyXUHZLCISJHFHGM-NEKCUFAVSA-N
MW198.27 g/mol
LogP1.09
Rot. Bonds3

About (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine

(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine (PubChem CID 89112517) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
PubChem CID89112517
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
SMILESC=c1nccc/c1=C/C=C/C=C\C=N\C
InChIInChI=1S/C13H14N2/c1-12-13(9-7-11-15-12)8-5-3-4-6-10-14-2/h3-11H,1H2,2H3/b5-3+,6-4-,13-8-,14-10+
InChIKeyXUHZLCISJHFHGM-NEKCUFAVSA-N
XLogP1.09
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.09
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 (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine (CID 89112517) is (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine is C=c1nccc/c1=C/C=C/C=C\C=N\C.
What is the InChIKey of (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine?
The InChIKey is XUHZLCISJHFHGM-NEKCUFAVSA-N. The full InChI is InChI=1S/C13H14N2/c1-12-13(9-7-11-15-12)8-5-3-4-6-10-14-2/h3-11H,1H2,2H3/b5-3+,6-4-,13-8-,14-10+.
What are the key properties of (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine?
(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine has a molecular weight of 198.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine is sourced from PubChem (CID 89112517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).