2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione

C16H16N2O2 — CID 63194158

IUPAC2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione
SMILESCC(C)(CN)N1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C16H16N2O2/c1-16(2,9-17)18-14(19)11-7-3-5-10-6-4-8-12(13(10)11)15(18)20/h3-8H,9,17H2,1-2H3
InChIKeyCPZROSRGZNIWJC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.17
Rot. Bonds2

About 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione

2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 63194158) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID63194158
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione
SMILESCC(C)(CN)N1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C16H16N2O2/c1-16(2,9-17)18-14(19)11-7-3-5-10-6-4-8-12(13(10)11)15(18)20/h3-8H,9,17H2,1-2H3
InChIKeyCPZROSRGZNIWJC-UHFFFAOYSA-N
XLogP2.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
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 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione (CID 63194158) is 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione is CC(C)(CN)N1C(=O)c2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is CPZROSRGZNIWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(2,9-17)18-14(19)11-7-3-5-10-6-4-8-12(13(10)11)15(18)20/h3-8H,9,17H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione?
2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 268.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 63194158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).