(2S)-2,5-dimethyl-2,3-dihydropyridine

C7H11N — CID 70326462

IUPAC(2S)-2,5-dimethyl-2,3-dihydropyridine
SMILESCC1=CC[C@H](C)N=C1
InChIInChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h3,5,7H,4H2,1-2H3/t7-/m0/s1
InChIKeyWSNLWEBMLHDDFA-ZETCQYMHSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds

About (2S)-2,5-dimethyl-2,3-dihydropyridine

(2S)-2,5-dimethyl-2,3-dihydropyridine (PubChem CID 70326462) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (2S)-2,5-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-2,5-dimethyl-2,3-dihydropyridine
PubChem CID70326462
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(2S)-2,5-dimethyl-2,3-dihydropyridine
SMILESCC1=CC[C@H](C)N=C1
InChIInChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h3,5,7H,4H2,1-2H3/t7-/m0/s1
InChIKeyWSNLWEBMLHDDFA-ZETCQYMHSA-N
XLogP1.80
TPSA12.36 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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethyl-2,3-dihydropyridine?
The IUPAC name of (2S)-2,5-dimethyl-2,3-dihydropyridine (CID 70326462) is (2S)-2,5-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-2,5-dimethyl-2,3-dihydropyridine?
The canonical SMILES for (2S)-2,5-dimethyl-2,3-dihydropyridine is CC1=CC[C@H](C)N=C1.
What is the InChIKey of (2S)-2,5-dimethyl-2,3-dihydropyridine?
The InChIKey is WSNLWEBMLHDDFA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h3,5,7H,4H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2,5-dimethyl-2,3-dihydropyridine?
(2S)-2,5-dimethyl-2,3-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 70326462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).