6-methyl-1,2,3,6-tetrahydropyridine

C6H11N — CID 5231252

IUPAC6-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=CCCN1
InChIInChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h2,4,6-7H,3,5H2,1H3
InChIKeyJHSFOVBZJMTSJL-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.92
Rot. Bonds

About 6-methyl-1,2,3,6-tetrahydropyridine

6-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 5231252) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 6-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-methyl-1,2,3,6-tetrahydropyridine
PubChem CID5231252
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name6-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=CCCN1
InChIInChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h2,4,6-7H,3,5H2,1H3
InChIKeyJHSFOVBZJMTSJL-UHFFFAOYSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
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 6-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-methyl-1,2,3,6-tetrahydropyridine (CID 5231252) is 6-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-methyl-1,2,3,6-tetrahydropyridine is CC1C=CCCN1.
What is the InChIKey of 6-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is JHSFOVBZJMTSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 6-methyl-1,2,3,6-tetrahydropyridine?
6-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 97.16 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5231252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).