1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C11H19NO2 — CID 105450847

IUPAC1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCC(C)CC1C=C(C(=O)O)CCN1C
InChIInChI=1S/C11H19NO2/c1-8(2)6-10-7-9(11(13)14)4-5-12(10)3/h7-8,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyQICQZOZNKWWCIU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds3

About 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 105450847) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID105450847
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCC(C)CC1C=C(C(=O)O)CCN1C
InChIInChI=1S/C11H19NO2/c1-8(2)6-10-7-9(11(13)14)4-5-12(10)3/h7-8,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyQICQZOZNKWWCIU-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 105450847) is 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is CC(C)CC1C=C(C(=O)O)CCN1C.
What is the InChIKey of 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is QICQZOZNKWWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)6-10-7-9(11(13)14)4-5-12(10)3/h7-8,10H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 105450847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).