2-methoxy-3,5-dimethyl-2,3-dihydropyridine

C8H13NO — CID 77393469

IUPAC2-methoxy-3,5-dimethyl-2,3-dihydropyridine
SMILESCOC1N=CC(C)=CC1C
InChIInChI=1S/C8H13NO/c1-6-4-7(2)8(10-3)9-5-6/h4-5,7-8H,1-3H3
InChIKeyXIYOURNYGVNQEC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.63
Rot. Bonds1

About 2-methoxy-3,5-dimethyl-2,3-dihydropyridine

2-methoxy-3,5-dimethyl-2,3-dihydropyridine (PubChem CID 77393469) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methoxy-3,5-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-methoxy-3,5-dimethyl-2,3-dihydropyridine
PubChem CID77393469
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-methoxy-3,5-dimethyl-2,3-dihydropyridine
SMILESCOC1N=CC(C)=CC1C
InChIInChI=1S/C8H13NO/c1-6-4-7(2)8(10-3)9-5-6/h4-5,7-8H,1-3H3
InChIKeyXIYOURNYGVNQEC-UHFFFAOYSA-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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Related Compounds

4-(2-methoxyethyl)-2H-pyrrole
CID 58483121
(3R)-2-methoxy-3-methyl-2,3-dihydropyridine
CID 67991605
(3R)-2-methoxy-3,5-dimethyl-2,3-dihydropyridine
CID 67991655
5-(Ethoxymethyl)-2,3-dihydropyridine
CID 68360675
(2R)-5-ethyl-2,3-dihydropyridin-2-ol
CID 88998011
2-Methoxy-4-methyl-2,3-dihydropyridine
CID 89891595
3-Ethyl-2-methoxy-5-methyl-2,3-dihydropyridine
CID 117790261
5-Ethyl-2,3-dihydropyridin-2-ol
CID 123283874
N-(4-methylpent-3-enoxymethyl)ethanimine
CID 123418165
2-(2-methoxyethyl)-N-methylbut-2-en-1-imine
CID 123903200
5-Methyl-2-pentan-3-yloxy-2,3-dihydropyridine
CID 130225088
(E)-2-(methoxymethyl)-N-methylpent-2-en-1-imine
CID 143113040

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5-dimethyl-2,3-dihydropyridine?
The IUPAC name of 2-methoxy-3,5-dimethyl-2,3-dihydropyridine (CID 77393469) is 2-methoxy-3,5-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 2-methoxy-3,5-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 2-methoxy-3,5-dimethyl-2,3-dihydropyridine is COC1N=CC(C)=CC1C.
What is the InChIKey of 2-methoxy-3,5-dimethyl-2,3-dihydropyridine?
The InChIKey is XIYOURNYGVNQEC-UHFFFAOYSA-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.
What are the key properties of 2-methoxy-3,5-dimethyl-2,3-dihydropyridine?
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 2-methoxy-3,5-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 77393469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).