2-ethyl-3-propoxy-1,2-dihydropyridine

C10H17NO — CID 173058048

IUPAC2-ethyl-3-propoxy-1,2-dihydropyridine
SMILESCCCOC1=CC=CNC1CC
InChIInChI=1S/C10H17NO/c1-3-8-12-10-6-5-7-11-9(10)4-2/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyUFLZQJRPOLXNKE-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.19
Rot. Bonds4

About 2-ethyl-3-propoxy-1,2-dihydropyridine

2-ethyl-3-propoxy-1,2-dihydropyridine (PubChem CID 173058048) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-ethyl-3-propoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-3-propoxy-1,2-dihydropyridine
PubChem CID173058048
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-ethyl-3-propoxy-1,2-dihydropyridine
SMILESCCCOC1=CC=CNC1CC
InChIInChI=1S/C10H17NO/c1-3-8-12-10-6-5-7-11-9(10)4-2/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyUFLZQJRPOLXNKE-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propoxy-1,2-dihydropyridine?
The IUPAC name of 2-ethyl-3-propoxy-1,2-dihydropyridine (CID 173058048) is 2-ethyl-3-propoxy-1,2-dihydropyridine.
What is the SMILES notation for 2-ethyl-3-propoxy-1,2-dihydropyridine?
The canonical SMILES for 2-ethyl-3-propoxy-1,2-dihydropyridine is CCCOC1=CC=CNC1CC.
What is the InChIKey of 2-ethyl-3-propoxy-1,2-dihydropyridine?
The InChIKey is UFLZQJRPOLXNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8-12-10-6-5-7-11-9(10)4-2/h5-7,9,11H,3-4,8H2,1-2H3.
What are the key properties of 2-ethyl-3-propoxy-1,2-dihydropyridine?
2-ethyl-3-propoxy-1,2-dihydropyridine has a molecular weight of 167.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propoxy-1,2-dihydropyridine is sourced from PubChem (CID 173058048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).