1-methyl-6-methylidene-2,5-dihydropyridine

C7H11N — CID 67978398

IUPAC1-methyl-6-methylidene-2,5-dihydropyridine
SMILESC=C1CC=CCN1C
InChIInChI=1S/C7H11N/c1-7-5-3-4-6-8(7)2/h3-4H,1,5-6H2,2H3
InChIKeyPCDQXKIQSYQPRS-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.39
Rot. Bonds

About 1-methyl-6-methylidene-2,5-dihydropyridine

1-methyl-6-methylidene-2,5-dihydropyridine (PubChem CID 67978398) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-methyl-6-methylidene-2,5-dihydropyridine.

Molecular Properties

Compound Name1-methyl-6-methylidene-2,5-dihydropyridine
PubChem CID67978398
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-methyl-6-methylidene-2,5-dihydropyridine
SMILESC=C1CC=CCN1C
InChIInChI=1S/C7H11N/c1-7-5-3-4-6-8(7)2/h3-4H,1,5-6H2,2H3
InChIKeyPCDQXKIQSYQPRS-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-2,5-dihydropyridine?
The IUPAC name of 1-methyl-6-methylidene-2,5-dihydropyridine (CID 67978398) is 1-methyl-6-methylidene-2,5-dihydropyridine.
What is the SMILES notation for 1-methyl-6-methylidene-2,5-dihydropyridine?
The canonical SMILES for 1-methyl-6-methylidene-2,5-dihydropyridine is C=C1CC=CCN1C.
What is the InChIKey of 1-methyl-6-methylidene-2,5-dihydropyridine?
The InChIKey is PCDQXKIQSYQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7-5-3-4-6-8(7)2/h3-4H,1,5-6H2,2H3.
What are the key properties of 1-methyl-6-methylidene-2,5-dihydropyridine?
1-methyl-6-methylidene-2,5-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-2,5-dihydropyridine is sourced from PubChem (CID 67978398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).