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

C7H11NO — CID 89130631

IUPAC(3S)-5-methoxy-3-methyl-2,3-dihydropyridine
SMILESCOC1=C[C@H](C)CN=C1
InChIInChI=1S/C7H11NO/c1-6-3-7(9-2)5-8-4-6/h3,5-6H,4H2,1-2H3/t6-/m0/s1
InChIKeyQETJJPLSICDGSJ-LURJTMIESA-N
MW125.17 g/mol
LogP1.24
Rot. Bonds1

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

(3S)-5-methoxy-3-methyl-2,3-dihydropyridine (PubChem CID 89130631) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3S)-5-methoxy-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(3S)-5-methoxy-3-methyl-2,3-dihydropyridine
PubChem CID89130631
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3S)-5-methoxy-3-methyl-2,3-dihydropyridine
SMILESCOC1=C[C@H](C)CN=C1
InChIInChI=1S/C7H11NO/c1-6-3-7(9-2)5-8-4-6/h3,5-6H,4H2,1-2H3/t6-/m0/s1
InChIKeyQETJJPLSICDGSJ-LURJTMIESA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxy-3-methyl-2,3-dihydropyridine?
The IUPAC name of (3S)-5-methoxy-3-methyl-2,3-dihydropyridine (CID 89130631) is (3S)-5-methoxy-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for (3S)-5-methoxy-3-methyl-2,3-dihydropyridine?
The canonical SMILES for (3S)-5-methoxy-3-methyl-2,3-dihydropyridine is COC1=C[C@H](C)CN=C1.
What is the InChIKey of (3S)-5-methoxy-3-methyl-2,3-dihydropyridine?
The InChIKey is QETJJPLSICDGSJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-7(9-2)5-8-4-6/h3,5-6H,4H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-5-methoxy-3-methyl-2,3-dihydropyridine?
(3S)-5-methoxy-3-methyl-2,3-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxy-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 89130631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).