1,2-dimethoxy-3,4-dihydro-2H-pyridine

C7H13NO2 — CID 70085192

IUPAC1,2-dimethoxy-3,4-dihydro-2H-pyridine
SMILESCOC1CCC=CN1OC
InChIInChI=1S/C7H13NO2/c1-9-7-5-3-4-6-8(7)10-2/h4,6-7H,3,5H2,1-2H3
InChIKeyANPSZRROGPDCBS-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.13
Rot. Bonds2

About 1,2-dimethoxy-3,4-dihydro-2H-pyridine

1,2-dimethoxy-3,4-dihydro-2H-pyridine (PubChem CID 70085192) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1,2-dimethoxy-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2-dimethoxy-3,4-dihydro-2H-pyridine
PubChem CID70085192
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1,2-dimethoxy-3,4-dihydro-2H-pyridine
SMILESCOC1CCC=CN1OC
InChIInChI=1S/C7H13NO2/c1-9-7-5-3-4-6-8(7)10-2/h4,6-7H,3,5H2,1-2H3
InChIKeyANPSZRROGPDCBS-UHFFFAOYSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3,4-dihydro-2H-pyridine?
The IUPAC name of 1,2-dimethoxy-3,4-dihydro-2H-pyridine (CID 70085192) is 1,2-dimethoxy-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1,2-dimethoxy-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1,2-dimethoxy-3,4-dihydro-2H-pyridine is COC1CCC=CN1OC.
What is the InChIKey of 1,2-dimethoxy-3,4-dihydro-2H-pyridine?
The InChIKey is ANPSZRROGPDCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-9-7-5-3-4-6-8(7)10-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 1,2-dimethoxy-3,4-dihydro-2H-pyridine?
1,2-dimethoxy-3,4-dihydro-2H-pyridine has a molecular weight of 143.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 70085192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).