(3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine

C8H13NO — CID 67991655

IUPAC(3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine
SMILESCOC1N=CC(C)=C[C@H]1C
InChIInChI=1S/C8H13NO/c1-6-4-7(2)8(10-3)9-5-6/h4-5,7-8H,1-3H3/t7-,8?/m1/s1
InChIKeyXIYOURNYGVNQEC-GVHYBUMESA-N
MW139.20 g/mol
LogP1.63
Rot. Bonds1

About (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine

(3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine (PubChem CID 67991655) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine
PubChem CID67991655
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine
SMILESCOC1N=CC(C)=C[C@H]1C
InChIInChI=1S/C8H13NO/c1-6-4-7(2)8(10-3)9-5-6/h4-5,7-8H,1-3H3/t7-,8?/m1/s1
InChIKeyXIYOURNYGVNQEC-GVHYBUMESA-N
XLogP1.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine?
The IUPAC name of (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine (CID 67991655) is (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine?
The canonical SMILES for (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine is COC1N=CC(C)=C[C@H]1C.
What is the InChIKey of (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine?
The InChIKey is XIYOURNYGVNQEC-GVHYBUMESA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-7(2)8(10-3)9-5-6/h4-5,7-8H,1-3H3/t7-,8?/m1/s1.
What are the key properties of (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine?
(3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 67991655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).