4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine

C14H14NO- — CID 136861671

IUPAC4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine
SMILESCON1C=CC(=CC=C2C=CC=C[CH-]2)C=C1
InChIInChI=1S/C14H14NO/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/q-1
InChIKeyWCVKMSHKJTYVFV-UHFFFAOYSA-N
MW212.27 g/mol
LogP3.07
Rot. Bonds2

About 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine

4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine (PubChem CID 136861671) has the molecular formula C14H14NO- and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine.

Molecular Properties

Compound Name4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine
PubChem CID136861671
Molecular FormulaC14H14NO-
Molecular Weight212.27 g/mol
Exact Mass212.11
IUPAC Name4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine
SMILESCON1C=CC(=CC=C2C=CC=C[CH-]2)C=C1
InChIInChI=1S/C14H14NO/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/q-1
InChIKeyWCVKMSHKJTYVFV-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine?
The IUPAC name of 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine (CID 136861671) is 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine.
What is the SMILES notation for 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine?
The canonical SMILES for 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine is CON1C=CC(=CC=C2C=CC=C[CH-]2)C=C1.
What is the InChIKey of 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine?
The InChIKey is WCVKMSHKJTYVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/q-1.
What are the key properties of 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine?
4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine has a molecular weight of 212.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexa-2,4-dien-1-ylideneethylidene)-1-methoxypyridine is sourced from PubChem (CID 136861671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).