2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione

C25H23NO2 — CID 66683419

IUPAC2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione
SMILESCc1cc(-c2ccccc2)cc(C)c1C1C(=O)CC(Cc2ccccn2)C1=O
InChIInChI=1S/C25H23NO2/c1-16-12-19(18-8-4-3-5-9-18)13-17(2)23(16)24-22(27)15-20(25(24)28)14-21-10-6-7-11-26-21/h3-13,20,24H,14-15H2,1-2H3
InChIKeyGGUCDDFLQQJNDY-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.85
Rot. Bonds4

About 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione

2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione (PubChem CID 66683419) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione
PubChem CID66683419
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione
SMILESCc1cc(-c2ccccc2)cc(C)c1C1C(=O)CC(Cc2ccccn2)C1=O
InChIInChI=1S/C25H23NO2/c1-16-12-19(18-8-4-3-5-9-18)13-17(2)23(16)24-22(27)15-20(25(24)28)14-21-10-6-7-11-26-21/h3-13,20,24H,14-15H2,1-2H3
InChIKeyGGUCDDFLQQJNDY-UHFFFAOYSA-N
XLogP4.85
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(Pyridin-2-yl)-1H-indene-1,3(2H)-dione
CID 238065
6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one
CID 25180108
2-[(4,4-Dimethyl-2,6-dioxocyclohexyl)-(3-pyridinyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 632765
2-(4-quinolinyl)-1H-indene-1,3(2H)-dione
CID 1207745
3,5,6-Trimethyl-2-[phenyl-(3-pyridyl)methyl]-1,4-benzoquinone
CID 14277767
(11beta,16alpha,17beta)-17-Cyclopropylcarbonyl-16-methyl-11-[4-(2-pyridinyl)phenyl]estra-4,9-dien-3-one
CID 44451358
2-[[3-Acetyl-1-(o-tolylmethyl)pyridin-1-ium-4-yl]methyl]-5,6-dimethyl-indan-1-one bromide
CID 118558040
[(3-Acetyl-1-(o-tolylmethyl)pyridin-1-ium-4-yl]methyl]-5-methyl-indan-1-one bromide
CID 131735886
1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl-phenyl)-
CID 226783
2-(Isoquinolin-1-yl)-1H-indene-1,3(2H)-dione
CID 3243985
2-(Isoquinolin-3-yl)-1h-indene-1,3(2h)-dione
CID 294416
2-Ethyl-1-phenyl-4-pyridin-2-ylbutan-1-one
CID 271819

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione?
The IUPAC name of 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione (CID 66683419) is 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione?
The canonical SMILES for 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione is Cc1cc(-c2ccccc2)cc(C)c1C1C(=O)CC(Cc2ccccn2)C1=O.
What is the InChIKey of 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione?
The InChIKey is GGUCDDFLQQJNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-16-12-19(18-8-4-3-5-9-18)13-17(2)23(16)24-22(27)15-20(25(24)28)14-21-10-6-7-11-26-21/h3-13,20,24H,14-15H2,1-2H3.
What are the key properties of 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione?
2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione has a molecular weight of 369.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-phenylphenyl)-4-(pyridin-2-ylmethyl)cyclopentane-1,3-dione is sourced from PubChem (CID 66683419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).