4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione

C14H21NO2 — CID 59876627

IUPAC4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione
SMILESCC1(C)CC(C)(C)C2=C1C(=O)NC(=O)C2(C)C
InChIInChI=1S/C14H21NO2/c1-12(2)7-13(3,4)9-8(12)10(16)15-11(17)14(9,5)6/h7H2,1-6H3,(H,15,16,17)
InChIKeyJGMVHWYILKJVJF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.42
Rot. Bonds

About 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione

4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione (PubChem CID 59876627) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione.

Molecular Properties

Compound Name4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione
PubChem CID59876627
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione
SMILESCC1(C)CC(C)(C)C2=C1C(=O)NC(=O)C2(C)C
InChIInChI=1S/C14H21NO2/c1-12(2)7-13(3,4)9-8(12)10(16)15-11(17)14(9,5)6/h7H2,1-6H3,(H,15,16,17)
InChIKeyJGMVHWYILKJVJF-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.42
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 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione?
The IUPAC name of 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione (CID 59876627) is 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione.
What is the SMILES notation for 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione?
The canonical SMILES for 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione is CC1(C)CC(C)(C)C2=C1C(=O)NC(=O)C2(C)C.
What is the InChIKey of 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione?
The InChIKey is JGMVHWYILKJVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(2)7-13(3,4)9-8(12)10(16)15-11(17)14(9,5)6/h7H2,1-6H3,(H,15,16,17).
What are the key properties of 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione?
4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione has a molecular weight of 235.33 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione is sourced from PubChem (CID 59876627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).