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

C9H15NO2 — CID 58977464

IUPAC4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCCC1=C(C(=O)O)CN(C)CC1
InChIInChI=1S/C9H15NO2/c1-3-7-4-5-10(2)6-8(7)9(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyBPFFPUPFDVNMIG-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.11
Rot. Bonds2

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

4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 58977464) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID58977464
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCCC1=C(C(=O)O)CN(C)CC1
InChIInChI=1S/C9H15NO2/c1-3-7-4-5-10(2)6-8(7)9(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyBPFFPUPFDVNMIG-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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Related Compounds

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CID 10355
Arecaidine-d5
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4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 20139414
1-Ethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 21266373
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23323988
5-(Dimethylamino)-3-ethyl-2-methylpent-2-enoic acid
CID 57220053
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 58977934
4-Propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 59492394
2-Methyl-3-(piperidin-1-ylmethyl)but-2-enedioic acid
CID 66648487
1-dimethylphosphanyl-4-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 68340022
4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
CID 68513724

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 58977464) is 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is CCC1=C(C(=O)O)CN(C)CC1.
What is the InChIKey of 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is BPFFPUPFDVNMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-4-5-10(2)6-8(7)9(11)12/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-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 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 58977464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).