(2S)-2-methyl-2,3-dihydropyridine

C6H9N — CID 70325960

IUPAC(2S)-2-methyl-2,3-dihydropyridine
SMILESC[C@H]1CC=CC=N1
InChIInChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1
InChIKeyUMULUDKNGDJLTM-LURJTMIESA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds

About (2S)-2-methyl-2,3-dihydropyridine

(2S)-2-methyl-2,3-dihydropyridine (PubChem CID 70325960) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (2S)-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-2-methyl-2,3-dihydropyridine
PubChem CID70325960
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(2S)-2-methyl-2,3-dihydropyridine
SMILESC[C@H]1CC=CC=N1
InChIInChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1
InChIKeyUMULUDKNGDJLTM-LURJTMIESA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2,3-dihydropyridine?
The IUPAC name of (2S)-2-methyl-2,3-dihydropyridine (CID 70325960) is (2S)-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-2-methyl-2,3-dihydropyridine?
The canonical SMILES for (2S)-2-methyl-2,3-dihydropyridine is C[C@H]1CC=CC=N1.
What is the InChIKey of (2S)-2-methyl-2,3-dihydropyridine?
The InChIKey is UMULUDKNGDJLTM-LURJTMIESA-N. The full InChI is InChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-2,3-dihydropyridine?
(2S)-2-methyl-2,3-dihydropyridine has a molecular weight of 95.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 70325960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).