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

C8H13NO — CID 154532731

IUPAC4-methoxy-2,5-dimethyl-2,3-dihydropyridine
SMILESCOC1=C(C)C=NC(C)C1
InChIInChI=1S/C8H13NO/c1-6-5-9-7(2)4-8(6)10-3/h5,7H,4H2,1-3H3
InChIKeyDUGAPDYJFUBTHD-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.77
Rot. Bonds1

About 4-methoxy-2,5-dimethyl-2,3-dihydropyridine

4-methoxy-2,5-dimethyl-2,3-dihydropyridine (PubChem CID 154532731) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-2,3-dihydropyridine
PubChem CID154532731
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-methoxy-2,5-dimethyl-2,3-dihydropyridine
SMILESCOC1=C(C)C=NC(C)C1
InChIInChI=1S/C8H13NO/c1-6-5-9-7(2)4-8(6)10-3/h5,7H,4H2,1-3H3
InChIKeyDUGAPDYJFUBTHD-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-2,3-dihydropyridine?
The IUPAC name of 4-methoxy-2,5-dimethyl-2,3-dihydropyridine (CID 154532731) is 4-methoxy-2,5-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 4-methoxy-2,5-dimethyl-2,3-dihydropyridine is COC1=C(C)C=NC(C)C1.
What is the InChIKey of 4-methoxy-2,5-dimethyl-2,3-dihydropyridine?
The InChIKey is DUGAPDYJFUBTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-5-9-7(2)4-8(6)10-3/h5,7H,4H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-2,3-dihydropyridine?
4-methoxy-2,5-dimethyl-2,3-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 154532731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).