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

C7H11NO2 — CID 66706193

IUPAC3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1C=CCN(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-6-3-2-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyGWQMQDUOEIZNQI-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.17
Rot. Bonds

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

3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 66706193) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID66706193
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1C=CCN(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-6-3-2-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyGWQMQDUOEIZNQI-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 66706193) is 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC1C=CCN(C(=O)O)C1.
What is the InChIKey of 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is GWQMQDUOEIZNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-3-2-4-8(5-6)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10).
What are the key properties of 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 66706193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).