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

C8H13NO2 — CID 23323988

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)CN(C)CC1
InChIInChI=1S/C8H13NO2/c1-6-3-4-9(2)5-7(6)8(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyWJXDUXLUOJGLDV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.72
Rot. Bonds1

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

1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 23323988) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID23323988
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)CN(C)CC1
InChIInChI=1S/C8H13NO2/c1-6-3-4-9(2)5-7(6)8(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyWJXDUXLUOJGLDV-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 23323988) is 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is CC1=C(C(=O)O)CN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is WJXDUXLUOJGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-3-4-9(2)5-7(6)8(10)11/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 23323988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).