6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

C8H15NO — CID 139806460

IUPAC6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOCC1C=CCCN1C
InChIInChI=1S/C8H15NO/c1-9-6-4-3-5-8(9)7-10-2/h3,5,8H,4,6-7H2,1-2H3
InChIKeyMPFRNRPJICTFLG-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.89
Rot. Bonds2

About 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 139806460) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID139806460
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOCC1C=CCCN1C
InChIInChI=1S/C8H15NO/c1-9-6-4-3-5-8(9)7-10-2/h3,5,8H,4,6-7H2,1-2H3
InChIKeyMPFRNRPJICTFLG-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 139806460) is 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is COCC1C=CCCN1C.
What is the InChIKey of 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is MPFRNRPJICTFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-6-4-3-5-8(9)7-10-2/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 141.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 139806460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).