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

C8H13NO2 — CID 91239666

IUPAC6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid
SMILESCC1(C)CCC(C(=O)O)C=N1
InChIInChI=1S/C8H13NO2/c1-8(2)4-3-6(5-9-8)7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyNVPRANVGZOHDTP-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.33
Rot. Bonds1

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

6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid (PubChem CID 91239666) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid
PubChem CID91239666
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid
SMILESCC1(C)CCC(C(=O)O)C=N1
InChIInChI=1S/C8H13NO2/c1-8(2)4-3-6(5-9-8)7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyNVPRANVGZOHDTP-UHFFFAOYSA-N
XLogP1.33
TPSA49.66 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid?
The IUPAC name of 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid (CID 91239666) is 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid is CC1(C)CCC(C(=O)O)C=N1.
What is the InChIKey of 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid?
The InChIKey is NVPRANVGZOHDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2)4-3-6(5-9-8)7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid?
6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid is sourced from PubChem (CID 91239666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).