(4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine

C8H15NO — CID 98078668

IUPAC(4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine
SMILESCCO[C@@H]1C=CN(C)CC1
InChIInChI=1S/C8H15NO/c1-3-10-8-4-6-9(2)7-5-8/h4,6,8H,3,5,7H2,1-2H3/t8-/m1/s1
InChIKeyJICMHMFQWYJXQF-MRVPVSSYSA-N
MW141.21 g/mol
LogP1.24
Rot. Bonds2

About (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine

(4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 98078668) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID98078668
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine
SMILESCCO[C@@H]1C=CN(C)CC1
InChIInChI=1S/C8H15NO/c1-3-10-8-4-6-9(2)7-5-8/h4,6,8H,3,5,7H2,1-2H3/t8-/m1/s1
InChIKeyJICMHMFQWYJXQF-MRVPVSSYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine (CID 98078668) is (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine is CCO[C@@H]1C=CN(C)CC1.
What is the InChIKey of (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is JICMHMFQWYJXQF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-10-8-4-6-9(2)7-5-8/h4,6,8H,3,5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine?
(4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 141.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 98078668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).