1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione

C17H15NO2 — CID 166071056

IUPAC1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione
SMILESCCc1cc(C)c2ccccc2c1N1C(=O)C=CC1=O
InChIInChI=1S/C17H15NO2/c1-3-12-10-11(2)13-6-4-5-7-14(13)17(12)18-15(19)8-9-16(18)20/h4-10H,3H2,1-2H3
InChIKeyAAIRIMMRRIYQDG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.14
Rot. Bonds2

About 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione

1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione (PubChem CID 166071056) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione
PubChem CID166071056
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione
SMILESCCc1cc(C)c2ccccc2c1N1C(=O)C=CC1=O
InChIInChI=1S/C17H15NO2/c1-3-12-10-11(2)13-6-4-5-7-14(13)17(12)18-15(19)8-9-16(18)20/h4-10H,3H2,1-2H3
InChIKeyAAIRIMMRRIYQDG-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione (CID 166071056) is 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione is CCc1cc(C)c2ccccc2c1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione?
The InChIKey is AAIRIMMRRIYQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-3-12-10-11(2)13-6-4-5-7-14(13)17(12)18-15(19)8-9-16(18)20/h4-10H,3H2,1-2H3.
What are the key properties of 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione?
1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione has a molecular weight of 265.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 166071056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).