1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione

C15H17NO2 — CID 57001906

IUPAC1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(C(C)(C)C)c1N1C(=O)C=CC1=O
InChIInChI=1S/C15H17NO2/c1-10-6-5-7-11(15(2,3)4)14(10)16-12(17)8-9-13(16)18/h5-9H,1-4H3
InChIKeyJSYBCPXHEBMECD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.72
Rot. Bonds1

About 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione

1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione (PubChem CID 57001906) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione
PubChem CID57001906
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(C(C)(C)C)c1N1C(=O)C=CC1=O
InChIInChI=1S/C15H17NO2/c1-10-6-5-7-11(15(2,3)4)14(10)16-12(17)8-9-13(16)18/h5-9H,1-4H3
InChIKeyJSYBCPXHEBMECD-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethenyl-6-methylphenyl)pyrrole-2,5-dione
CID 70465169
2-(2-tert-butyl-6-methylphenyl)-1,3-dioxoisoindole-4-carboxylic acid
CID 70495321
1-[2-(2,6-dimethylphenyl)phenyl]pyrrole-2,5-dione
CID 67802796
1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
CID 157489586
ethane;1-(2-methylphenyl)pyrrole-2,5-dione
CID 67631676
4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane
CID 160700679
2-tert-butyl-6-methylphenol
CID 16678
1,2-ditert-butyl-3-methylbenzene;bis(2,2-dimethylpropane)
CID 161097372
1-tert-butyl-7-methylindole-2,3-dione
CID 175712571
2-(2,5-dioxopyrrol-1-yl)-6-methylbenzonitrile
CID 107799310
1-tert-butyl-2,3-dimethylbenzene;isocyanic acid
CID 87249720
2-tert-butyl-6-methylphenol;methane
CID 159779150

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione (CID 57001906) is 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione is Cc1cccc(C(C)(C)C)c1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione?
The InChIKey is JSYBCPXHEBMECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-6-5-7-11(15(2,3)4)14(10)16-12(17)8-9-13(16)18/h5-9H,1-4H3.
What are the key properties of 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione?
1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione has a molecular weight of 243.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 57001906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).