1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione

C22H19NO2 — CID 11359410

IUPAC1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione
SMILESCC(C)c1ccc(-c2cc(=O)n(C)c3c2C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C22H19NO2/c1-13(2)14-8-10-15(11-9-14)18-12-19(24)23(3)21-16-6-4-5-7-17(16)22(25)20(18)21/h4-13H,1-3H3
InChIKeyJXEWIYPKIDWVBE-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.39
Rot. Bonds2

About 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione

1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione (PubChem CID 11359410) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione
PubChem CID11359410
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione
SMILESCC(C)c1ccc(-c2cc(=O)n(C)c3c2C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C22H19NO2/c1-13(2)14-8-10-15(11-9-14)18-12-19(24)23(3)21-16-6-4-5-7-17(16)22(25)20(18)21/h4-13H,1-3H3
InChIKeyJXEWIYPKIDWVBE-UHFFFAOYSA-N
XLogP4.39
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

1,6-dimethyl-4,5-diphenylpyridin-2-one
CID 165356437
ethane;1-(4-propan-2-ylphenyl)pyridin-2-one
CID 167489788
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
4-(2-propan-2-ylphenyl)-2-(4-propan-2-ylphenyl)phenol
CID 101384049
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
9,20-bis(4-propan-2-ylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805370
1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione
CID 53392838
3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
CID 18467201
14-methyl-10-(4-pentan-2-ylanilino)-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
CID 154199205
3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione
CID 143262520

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione?
The IUPAC name of 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione (CID 11359410) is 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione.
What is the SMILES notation for 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione?
The canonical SMILES for 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione is CC(C)c1ccc(-c2cc(=O)n(C)c3c2C(=O)c2ccccc2-3)cc1.
What is the InChIKey of 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione?
The InChIKey is JXEWIYPKIDWVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-13(2)14-8-10-15(11-9-14)18-12-19(24)23(3)21-16-6-4-5-7-17(16)22(25)20(18)21/h4-13H,1-3H3.
What are the key properties of 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione?
1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione has a molecular weight of 329.40 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propan-2-ylphenyl)indeno[1,2-b]pyridine-2,5-dione is sourced from PubChem (CID 11359410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).