5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione

C16H20N2O2 — CID 106661628

IUPAC5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione
SMILESCC1CC(C)(C)CC1Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H20N2O2/c1-9-7-16(2,3)8-13(9)17-10-4-5-11-12(6-10)15(20)18-14(11)19/h4-6,9,13,17H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyVQGZPHVFNHYCRD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.81
Rot. Bonds2

About 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione

5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione (PubChem CID 106661628) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione
PubChem CID106661628
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione
SMILESCC1CC(C)(C)CC1Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H20N2O2/c1-9-7-16(2,3)8-13(9)17-10-4-5-11-12(6-10)15(20)18-14(11)19/h4-6,9,13,17H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyVQGZPHVFNHYCRD-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione?
The IUPAC name of 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione (CID 106661628) is 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione.
What is the SMILES notation for 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione?
The canonical SMILES for 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione is CC1CC(C)(C)CC1Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione?
The InChIKey is VQGZPHVFNHYCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-7-16(2,3)8-13(9)17-10-4-5-11-12(6-10)15(20)18-14(11)19/h4-6,9,13,17H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione?
5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione has a molecular weight of 272.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione is sourced from PubChem (CID 106661628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).