5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

C9H15NO2 — CID 58977934

IUPAC5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCCC1=C(C(=O)O)CCN(C)C1
InChIInChI=1S/C9H15NO2/c1-3-7-6-10(2)5-4-8(7)9(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyROKDOXVDZZINPZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.11
Rot. Bonds2

About 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 58977934) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID58977934
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCCC1=C(C(=O)O)CCN(C)C1
InChIInChI=1S/C9H15NO2/c1-3-7-6-10(2)5-4-8(7)9(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyROKDOXVDZZINPZ-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 58977934) is 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is CCC1=C(C(=O)O)CCN(C)C1.
What is the InChIKey of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is ROKDOXVDZZINPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-6-10(2)5-4-8(7)9(11)12/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 58977934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).