2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione

C11H12NO2P — CID 143335808

IUPAC2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(CCP)cc2C1=O
InChIInChI=1S/C11H12NO2P/c1-12-10(13)8-3-2-7(4-5-15)6-9(8)11(12)14/h2-3,6H,4-5,15H2,1H3
InChIKeyKQGGKYJJTNNOMD-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.33
Rot. Bonds2

About 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione

2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione (PubChem CID 143335808) has the molecular formula C11H12NO2P and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione
PubChem CID143335808
Molecular FormulaC11H12NO2P
Molecular Weight221.20 g/mol
Exact Mass221.06
IUPAC Name2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(CCP)cc2C1=O
InChIInChI=1S/C11H12NO2P/c1-12-10(13)8-3-2-7(4-5-15)6-9(8)11(12)14/h2-3,6H,4-5,15H2,1H3
InChIKeyKQGGKYJJTNNOMD-UHFFFAOYSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione
CID 58078332
ethane;methane;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;bis(prop-1-yne)
CID 158185067
5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione
CID 91199484
2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
CID 10755204
2-methyl-1,3-dioxoisoindole-5-diazonium
CID 101332982
ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
CID 143852340
(2-methyl-1,3-dioxoisoindol-5-yl) thiohypochlorite
CID 163466743
N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 51702797
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
3-(2-butyl-1,3-dioxoisoindol-5-yl)propanoic acid
CID 58822045

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione (CID 143335808) is 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione is CN1C(=O)c2ccc(CCP)cc2C1=O.
What is the InChIKey of 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione?
The InChIKey is KQGGKYJJTNNOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO2P/c1-12-10(13)8-3-2-7(4-5-15)6-9(8)11(12)14/h2-3,6H,4-5,15H2,1H3.
What are the key properties of 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione?
2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione has a molecular weight of 221.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione is sourced from PubChem (CID 143335808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).