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

C14H15NO3 — CID 69141777

IUPAC4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(=O)c1ccccc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C14H15NO3/c1-10(16)12-4-2-3-5-13(12)11-6-8-15(9-7-11)14(17)18/h2-6H,7-9H2,1H3,(H,17,18)
InChIKeyCFPHKWHFAICJKO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.66
Rot. Bonds2

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

4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 69141777) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID69141777
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(=O)c1ccccc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C14H15NO3/c1-10(16)12-4-2-3-5-13(12)11-6-8-15(9-7-11)14(17)18/h2-6H,7-9H2,1H3,(H,17,18)
InChIKeyCFPHKWHFAICJKO-UHFFFAOYSA-N
XLogP2.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 69141777) is 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC(=O)c1ccccc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is CFPHKWHFAICJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(16)12-4-2-3-5-13(12)11-6-8-15(9-7-11)14(17)18/h2-6H,7-9H2,1H3,(H,17,18).
What are the key properties of 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 69141777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).