2-di(propan-2-yl)phosphorylisoindole-1,3-dione

C14H18NO3P — CID 134976503

IUPAC2-di(propan-2-yl)phosphorylisoindole-1,3-dione
SMILESCC(C)P(=O)(C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H18NO3P/c1-9(2)19(18,10(3)4)15-13(16)11-7-5-6-8-12(11)14(15)17/h5-10H,1-4H3
InChIKeyRJXGPEFXPJIVOP-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.38
Rot. Bonds3

About 2-di(propan-2-yl)phosphorylisoindole-1,3-dione

2-di(propan-2-yl)phosphorylisoindole-1,3-dione (PubChem CID 134976503) has the molecular formula C14H18NO3P and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphorylisoindole-1,3-dione.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphorylisoindole-1,3-dione
PubChem CID134976503
Molecular FormulaC14H18NO3P
Molecular Weight279.28 g/mol
Exact Mass279.10
IUPAC Name2-di(propan-2-yl)phosphorylisoindole-1,3-dione
SMILESCC(C)P(=O)(C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H18NO3P/c1-9(2)19(18,10(3)4)15-13(16)11-7-5-6-8-12(11)14(15)17/h5-10H,1-4H3
InChIKeyRJXGPEFXPJIVOP-UHFFFAOYSA-N
XLogP3.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yl)phosphorylisoindole-1,3-dione?
The IUPAC name of 2-di(propan-2-yl)phosphorylisoindole-1,3-dione (CID 134976503) is 2-di(propan-2-yl)phosphorylisoindole-1,3-dione.
What is the SMILES notation for 2-di(propan-2-yl)phosphorylisoindole-1,3-dione?
The canonical SMILES for 2-di(propan-2-yl)phosphorylisoindole-1,3-dione is CC(C)P(=O)(C(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-di(propan-2-yl)phosphorylisoindole-1,3-dione?
The InChIKey is RJXGPEFXPJIVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO3P/c1-9(2)19(18,10(3)4)15-13(16)11-7-5-6-8-12(11)14(15)17/h5-10H,1-4H3.
What are the key properties of 2-di(propan-2-yl)phosphorylisoindole-1,3-dione?
2-di(propan-2-yl)phosphorylisoindole-1,3-dione has a molecular weight of 279.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphorylisoindole-1,3-dione is sourced from PubChem (CID 134976503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).