6-(3-methoxypropyl)-2,3-dihydropyridine

C9H15NO — CID 142969166

IUPAC6-(3-methoxypropyl)-2,3-dihydropyridine
SMILESCOCCCC1=NCCC=C1
InChIInChI=1S/C9H15NO/c1-11-8-4-6-9-5-2-3-7-10-9/h2,5H,3-4,6-8H2,1H3
InChIKeyOAQRYLJKTZRTOB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.81
Rot. Bonds4

About 6-(3-methoxypropyl)-2,3-dihydropyridine

6-(3-methoxypropyl)-2,3-dihydropyridine (PubChem CID 142969166) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-(3-methoxypropyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(3-methoxypropyl)-2,3-dihydropyridine
PubChem CID142969166
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-(3-methoxypropyl)-2,3-dihydropyridine
SMILESCOCCCC1=NCCC=C1
InChIInChI=1S/C9H15NO/c1-11-8-4-6-9-5-2-3-7-10-9/h2,5H,3-4,6-8H2,1H3
InChIKeyOAQRYLJKTZRTOB-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropyl)-2,3-dihydropyridine?
The IUPAC name of 6-(3-methoxypropyl)-2,3-dihydropyridine (CID 142969166) is 6-(3-methoxypropyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-(3-methoxypropyl)-2,3-dihydropyridine?
The canonical SMILES for 6-(3-methoxypropyl)-2,3-dihydropyridine is COCCCC1=NCCC=C1.
What is the InChIKey of 6-(3-methoxypropyl)-2,3-dihydropyridine?
The InChIKey is OAQRYLJKTZRTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-8-4-6-9-5-2-3-7-10-9/h2,5H,3-4,6-8H2,1H3.
What are the key properties of 6-(3-methoxypropyl)-2,3-dihydropyridine?
6-(3-methoxypropyl)-2,3-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)-2,3-dihydropyridine is sourced from PubChem (CID 142969166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).