isoindole-1,3-dione;phosphane

C8H8NO2P — CID 89428738

IUPACisoindole-1,3-dione;phosphane
SMILESO=C1NC(=O)c2ccccc21.P
InChIInChI=1S/C8H5NO2.H3P/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);1H3
InChIKeyKCZRWWPPRBRLLM-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.63
Rot. Bonds

About isoindole-1,3-dione;phosphane

isoindole-1,3-dione;phosphane (PubChem CID 89428738) has the molecular formula C8H8NO2P and a molecular weight of 181.13 g/mol. Its IUPAC name is isoindole-1,3-dione;phosphane.

Molecular Properties

Compound Nameisoindole-1,3-dione;phosphane
PubChem CID89428738
Molecular FormulaC8H8NO2P
Molecular Weight181.13 g/mol
Exact Mass181.03
IUPAC Nameisoindole-1,3-dione;phosphane
SMILESO=C1NC(=O)c2ccccc21.P
InChIInChI=1S/C8H5NO2.H3P/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);1H3
InChIKeyKCZRWWPPRBRLLM-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.63
H-Bond Donors ≤ 51
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

lithium isoindole-1,3-dione
CID 18764300
CID 158403573
CID 158403573
hydron;isoindole-1,3-dione
CID 174301362
CID 157233017
CID 157233017
dipotassium;hydride;isoindole-1,3-dione
CID 173033461
bromomethane;isoindole-1,3-dione
CID 158684384
chloroform;isoindole-1,3-dione
CID 157323823
CID 175168561
CID 175168561
dichloromethane;isoindole-1,3-dione
CID 159399465
isoindole-1,3-dione;naphthalene-1,4-dione
CID 70478975
isoindole-1,3-dione;phenol
CID 157178846
isoindole-1,3-dione;1,3,5-triazine-2,4,6-triamine
CID 23338132

Frequently Asked Questions

What is the IUPAC name of isoindole-1,3-dione;phosphane?
The IUPAC name of isoindole-1,3-dione;phosphane (CID 89428738) is isoindole-1,3-dione;phosphane.
What is the SMILES notation for isoindole-1,3-dione;phosphane?
The canonical SMILES for isoindole-1,3-dione;phosphane is O=C1NC(=O)c2ccccc21.P.
What is the InChIKey of isoindole-1,3-dione;phosphane?
The InChIKey is KCZRWWPPRBRLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.H3P/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);1H3.
What are the key properties of isoindole-1,3-dione;phosphane?
isoindole-1,3-dione;phosphane has a molecular weight of 181.13 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoindole-1,3-dione;phosphane is sourced from PubChem (CID 89428738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).