2-methylidene-4,5-dihydro-3H-pyridin-5-ylium

C6H8N+ — CID 140602391

IUPAC2-methylidene-4,5-dihydro-3H-pyridin-5-ylium
SMILESC=C1CC[CH+]C=N1
InChIInChI=1S/C6H8N/c1-6-4-2-3-5-7-6/h3,5H,1-2,4H2/q+1
InChIKeyMESWFOXNKZMUOZ-UHFFFAOYSA-N
MW94.14 g/mol
LogP1.57
Rot. Bonds

About 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium

2-methylidene-4,5-dihydro-3H-pyridin-5-ylium (PubChem CID 140602391) has the molecular formula C6H8N+ and a molecular weight of 94.14 g/mol. Its IUPAC name is 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium.

Molecular Properties

Compound Name2-methylidene-4,5-dihydro-3H-pyridin-5-ylium
PubChem CID140602391
Molecular FormulaC6H8N+
Molecular Weight94.14 g/mol
Exact Mass94.07
IUPAC Name2-methylidene-4,5-dihydro-3H-pyridin-5-ylium
SMILESC=C1CC[CH+]C=N1
InChIInChI=1S/C6H8N/c1-6-4-2-3-5-7-6/h3,5H,1-2,4H2/q+1
InChIKeyMESWFOXNKZMUOZ-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.14
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium?
The IUPAC name of 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium (CID 140602391) is 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium.
What is the SMILES notation for 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium?
The canonical SMILES for 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium is C=C1CC[CH+]C=N1.
What is the InChIKey of 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium?
The InChIKey is MESWFOXNKZMUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N/c1-6-4-2-3-5-7-6/h3,5H,1-2,4H2/q+1.
What are the key properties of 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium?
2-methylidene-4,5-dihydro-3H-pyridin-5-ylium has a molecular weight of 94.14 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4,5-dihydro-3H-pyridin-5-ylium is sourced from PubChem (CID 140602391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).