(2R)-2-methyl-1,2,3,6-tetrahydropyridine

C6H11N — CID 69497245

IUPAC(2R)-2-methyl-1,2,3,6-tetrahydropyridine
SMILESC[C@@H]1CC=CCN1
InChIInChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3/t6-/m1/s1
InChIKeyHBPKFYFSUQATFO-ZCFIWIBFSA-N
MW97.16 g/mol
LogP0.92
Rot. Bonds

About (2R)-2-methyl-1,2,3,6-tetrahydropyridine

(2R)-2-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 69497245) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (2R)-2-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2R)-2-methyl-1,2,3,6-tetrahydropyridine
PubChem CID69497245
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(2R)-2-methyl-1,2,3,6-tetrahydropyridine
SMILESC[C@@H]1CC=CCN1
InChIInChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3/t6-/m1/s1
InChIKeyHBPKFYFSUQATFO-ZCFIWIBFSA-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 (2R)-2-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2R)-2-methyl-1,2,3,6-tetrahydropyridine (CID 69497245) is (2R)-2-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2R)-2-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2R)-2-methyl-1,2,3,6-tetrahydropyridine is C[C@@H]1CC=CCN1.
What is the InChIKey of (2R)-2-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is HBPKFYFSUQATFO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-1,2,3,6-tetrahydropyridine?
(2R)-2-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 (2R)-2-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 69497245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).