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

C8H13NO2 — CID 114413627

IUPAC4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESCOCC1=CCN(C=O)CC1
InChIInChI=1S/C8H13NO2/c1-11-6-8-2-4-9(7-10)5-3-8/h2,7H,3-6H2,1H3
InChIKeyQCLWGLJJPAMVRB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds3

About 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde

4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 114413627) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID114413627
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESCOCC1=CCN(C=O)CC1
InChIInChI=1S/C8H13NO2/c1-11-6-8-2-4-9(7-10)5-3-8/h2,7H,3-6H2,1H3
InChIKeyQCLWGLJJPAMVRB-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxymethyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442212
4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442213
1-methyl-4-(propoxymethyl)-3,6-dihydro-2H-pyridine
CID 14442218
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
2,2,3,3-tetrafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113586007
2,2,3,3,3-pentafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114038258
2,2,2-trifluoroethyl 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114413630
2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114413635
1-Ethyl-4-methoxymethyl-1,2,3,6-tetrahydropyridine
CID 14442214
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium bromide
CID 14442229
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442230
tert-butyl 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114393268

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 114413627) is 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde is COCC1=CCN(C=O)CC1.
What is the InChIKey of 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is QCLWGLJJPAMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-6-8-2-4-9(7-10)5-3-8/h2,7H,3-6H2,1H3.
What are the key properties of 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde?
4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 155.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 114413627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).