(3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine

C12H13N — CID 142823517

IUPAC(3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine
SMILESC=CC(=C)/C=C\C=C1\C=CC=NC1
InChIInChI=1S/C12H13N/c1-3-11(2)6-4-7-12-8-5-9-13-10-12/h3-9H,1-2,10H2/b6-4-,12-7-
InChIKeyIHNQLBCQEMMCDO-RLFXEJAQSA-N
MW171.24 g/mol
LogP2.85
Rot. Bonds3

About (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine

(3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine (PubChem CID 142823517) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine.

Molecular Properties

Compound Name(3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine
PubChem CID142823517
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine
SMILESC=CC(=C)/C=C\C=C1\C=CC=NC1
InChIInChI=1S/C12H13N/c1-3-11(2)6-4-7-12-8-5-9-13-10-12/h3-9H,1-2,10H2/b6-4-,12-7-
InChIKeyIHNQLBCQEMMCDO-RLFXEJAQSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine?
The IUPAC name of (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine (CID 142823517) is (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine.
What is the SMILES notation for (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine?
The canonical SMILES for (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine is C=CC(=C)/C=C\C=C1\C=CC=NC1.
What is the InChIKey of (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine?
The InChIKey is IHNQLBCQEMMCDO-RLFXEJAQSA-N. The full InChI is InChI=1S/C12H13N/c1-3-11(2)6-4-7-12-8-5-9-13-10-12/h3-9H,1-2,10H2/b6-4-,12-7-.
What are the key properties of (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine?
(3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine has a molecular weight of 171.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2Z)-4-methylidenehexa-2,5-dienylidene]-2H-pyridine is sourced from PubChem (CID 142823517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).