6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

C19H21NO3 — CID 2946760

IUPAC6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H21NO3/c21-18(16-8-4-5-9-17(16)19(22)23)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-7,10,16-17H,8-9,11-13H2,(H,22,23)
InChIKeySPKTYROISMAOCH-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.97
Rot. Bonds3

About 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 2946760) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID2946760
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H21NO3/c21-18(16-8-4-5-9-17(16)19(22)23)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-7,10,16-17H,8-9,11-13H2,(H,22,23)
InChIKeySPKTYROISMAOCH-UHFFFAOYSA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 2946760) is 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is SPKTYROISMAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(16-8-4-5-9-17(16)19(22)23)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-7,10,16-17H,8-9,11-13H2,(H,22,23).
What are the key properties of 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 2946760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).