4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid

C9H15NO2 — CID 59492394

IUPAC4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESCC(C)C1=C(C(=O)O)CNCC1
InChIInChI=1S/C9H15NO2/c1-6(2)7-3-4-10-5-8(7)9(11)12/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyVZZPDTVNBDJMMU-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.02
Rot. Bonds2

About 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid

4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid (PubChem CID 59492394) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
PubChem CID59492394
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESCC(C)C1=C(C(=O)O)CNCC1
InChIInChI=1S/C9H15NO2/c1-6(2)7-3-4-10-5-8(7)9(11)12/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyVZZPDTVNBDJMMU-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The IUPAC name of 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid (CID 59492394) is 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid is CC(C)C1=C(C(=O)O)CNCC1.
What is the InChIKey of 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The InChIKey is VZZPDTVNBDJMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)7-3-4-10-5-8(7)9(11)12/h6,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid is sourced from PubChem (CID 59492394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).