(2S)-5-methoxy-2-methyl-2,3-dihydropyridine

C7H11NO — CID 67991644

IUPAC(2S)-5-methoxy-2-methyl-2,3-dihydropyridine
SMILESCOC1=CC[C@H](C)N=C1
InChIInChI=1S/C7H11NO/c1-6-3-4-7(9-2)5-8-6/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyASADBMHWIXKRSO-LURJTMIESA-N
MW125.17 g/mol
LogP1.38
Rot. Bonds1

About (2S)-5-methoxy-2-methyl-2,3-dihydropyridine

(2S)-5-methoxy-2-methyl-2,3-dihydropyridine (PubChem CID 67991644) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2S)-5-methoxy-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-5-methoxy-2-methyl-2,3-dihydropyridine
PubChem CID67991644
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2S)-5-methoxy-2-methyl-2,3-dihydropyridine
SMILESCOC1=CC[C@H](C)N=C1
InChIInChI=1S/C7H11NO/c1-6-3-4-7(9-2)5-8-6/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyASADBMHWIXKRSO-LURJTMIESA-N
XLogP1.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-methyl-2,3-dihydropyridine?
The IUPAC name of (2S)-5-methoxy-2-methyl-2,3-dihydropyridine (CID 67991644) is (2S)-5-methoxy-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-5-methoxy-2-methyl-2,3-dihydropyridine?
The canonical SMILES for (2S)-5-methoxy-2-methyl-2,3-dihydropyridine is COC1=CC[C@H](C)N=C1.
What is the InChIKey of (2S)-5-methoxy-2-methyl-2,3-dihydropyridine?
The InChIKey is ASADBMHWIXKRSO-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-4-7(9-2)5-8-6/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-methyl-2,3-dihydropyridine?
(2S)-5-methoxy-2-methyl-2,3-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 67991644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).