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

C7H11NO2 — CID 10355

IUPAC1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCN1CCC=C(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChIKeyDNJFTXKSFAMXQF-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.33
Rot. Bonds1

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

1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 10355) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID10355
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCN1CCC=C(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChIKeyDNJFTXKSFAMXQF-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Guvacine
CID 3532
Guvacine Hydrochloride
CID 11957555
N-Nitrosoguvacine
CID 62102
1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride
CID 22368
Arecaidine hydrochloride
CID 12305194
1-Methyl-2,5-dihydropyrrole-3-carboxylic acid
CID 15125940
Arecaidine hydrobromide
CID 201453
2-Methyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 15696614
5,6-Dihydro-2h-pyridine-1,3-dicarboxylic acid 1-ethyl ester
CID 10726658
1-ethyl-3,6-dihydro-2H-pyridine-4-carboxylic acid;hydrochloride
CID 9990127
Guvacine hydrobromide
CID 15560295
Dimethylaminoethylmethacrylic acid
CID 53695273

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 10355) is 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is CN1CCC=C(C(=O)O)C1.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is DNJFTXKSFAMXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10).
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 10355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).