3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium

C11H11NO4P+ — CID 69272985

IUPAC3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium
SMILESO=C1c2ccccc2C(=O)N1CCC[P+](=O)O
InChIInChI=1S/C11H10NO4P/c13-10-8-4-1-2-5-9(8)11(14)12(10)6-3-7-17(15)16/h1-2,4-5H,3,6-7H2/p+1
InChIKeyKEWLYPZVOMXQAG-UHFFFAOYSA-O
MW252.19 g/mol
LogP1.41
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium

3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium (PubChem CID 69272985) has the molecular formula C11H11NO4P+ and a molecular weight of 252.19 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium
PubChem CID69272985
Molecular FormulaC11H11NO4P+
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium
SMILESO=C1c2ccccc2C(=O)N1CCC[P+](=O)O
InChIInChI=1S/C11H10NO4P/c13-10-8-4-1-2-5-9(8)11(14)12(10)6-3-7-17(15)16/h1-2,4-5H,3,6-7H2/p+1
InChIKeyKEWLYPZVOMXQAG-UHFFFAOYSA-O
XLogP1.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
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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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium
CID 67892806
CID 57427465
CID 57427465
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonic acid
CID 3385233
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
CID 88976080
CID 88976080
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium (CID 69272985) is 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium is O=C1c2ccccc2C(=O)N1CCC[P+](=O)O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium?
The InChIKey is KEWLYPZVOMXQAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10NO4P/c13-10-8-4-1-2-5-9(8)11(14)12(10)6-3-7-17(15)16/h1-2,4-5H,3,6-7H2/p+1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium?
3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium has a molecular weight of 252.19 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium is sourced from PubChem (CID 69272985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).