5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione

C15H17NO2 — CID 58188493

IUPAC5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)C(=O)NC3=O
InChIInChI=1S/C15H17NO2/c1-14(2)7-15(3,4)11-6-9-8(5-10(11)14)12(17)16-13(9)18/h5-6H,7H2,1-4H3,(H,16,17,18)
InChIKeyFUZMQFGYRCVBGF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.53
Rot. Bonds

About 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione

5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione (PubChem CID 58188493) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione
PubChem CID58188493
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)C(=O)NC3=O
InChIInChI=1S/C15H17NO2/c1-14(2)7-15(3,4)11-6-9-8(5-10(11)14)12(17)16-13(9)18/h5-6H,7H2,1-4H3,(H,16,17,18)
InChIKeyFUZMQFGYRCVBGF-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
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 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione?
The IUPAC name of 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione (CID 58188493) is 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione.
What is the SMILES notation for 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione?
The canonical SMILES for 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione is CC1(C)CC(C)(C)c2cc3c(cc21)C(=O)NC3=O.
What is the InChIKey of 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione?
The InChIKey is FUZMQFGYRCVBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-14(2)7-15(3,4)11-6-9-8(5-10(11)14)12(17)16-13(9)18/h5-6H,7H2,1-4H3,(H,16,17,18).
What are the key properties of 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione?
5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione has a molecular weight of 243.31 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-6H-cyclopenta[f]isoindole-1,3-dione is sourced from PubChem (CID 58188493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).