2-methoxy-2,3,4,5-tetrahydropyridine

C6H11NO — CID 20695402

IUPAC2-methoxy-2,3,4,5-tetrahydropyridine
SMILESCOC1CCCC=N1
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h5-6H,2-4H2,1H3
InChIKeyMMEMSSDTNLAXEX-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.21
Rot. Bonds1

About 2-methoxy-2,3,4,5-tetrahydropyridine

2-methoxy-2,3,4,5-tetrahydropyridine (PubChem CID 20695402) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methoxy-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-methoxy-2,3,4,5-tetrahydropyridine
PubChem CID20695402
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methoxy-2,3,4,5-tetrahydropyridine
SMILESCOC1CCCC=N1
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h5-6H,2-4H2,1H3
InChIKeyMMEMSSDTNLAXEX-UHFFFAOYSA-N
XLogP1.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-methoxy-2,3,4,5-tetrahydropyridine (CID 20695402) is 2-methoxy-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-methoxy-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-methoxy-2,3,4,5-tetrahydropyridine is COC1CCCC=N1.
What is the InChIKey of 2-methoxy-2,3,4,5-tetrahydropyridine?
The InChIKey is MMEMSSDTNLAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h5-6H,2-4H2,1H3.
What are the key properties of 2-methoxy-2,3,4,5-tetrahydropyridine?
2-methoxy-2,3,4,5-tetrahydropyridine has a molecular weight of 113.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 20695402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).