2-methoxy-4,5-dimethyl-1,2-dihydropyridine

C8H13NO — CID 70287109

IUPAC2-methoxy-4,5-dimethyl-1,2-dihydropyridine
SMILESCOC1C=C(C)C(C)=CN1
InChIInChI=1S/C8H13NO/c1-6-4-8(10-3)9-5-7(6)2/h4-5,8-9H,1-3H3
InChIKeyCNIOTVVBUGBQJJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.41
Rot. Bonds1

About 2-methoxy-4,5-dimethyl-1,2-dihydropyridine

2-methoxy-4,5-dimethyl-1,2-dihydropyridine (PubChem CID 70287109) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-1,2-dihydropyridine
PubChem CID70287109
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-methoxy-4,5-dimethyl-1,2-dihydropyridine
SMILESCOC1C=C(C)C(C)=CN1
InChIInChI=1S/C8H13NO/c1-6-4-8(10-3)9-5-7(6)2/h4-5,8-9H,1-3H3
InChIKeyCNIOTVVBUGBQJJ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-1,2-dihydropyridine?
The IUPAC name of 2-methoxy-4,5-dimethyl-1,2-dihydropyridine (CID 70287109) is 2-methoxy-4,5-dimethyl-1,2-dihydropyridine.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-1,2-dihydropyridine?
The canonical SMILES for 2-methoxy-4,5-dimethyl-1,2-dihydropyridine is COC1C=C(C)C(C)=CN1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-1,2-dihydropyridine?
The InChIKey is CNIOTVVBUGBQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-8(10-3)9-5-7(6)2/h4-5,8-9H,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-1,2-dihydropyridine?
2-methoxy-4,5-dimethyl-1,2-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-1,2-dihydropyridine is sourced from PubChem (CID 70287109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).