isoindole-1,3-dione;naphthalene-1,4-dione

C18H11NO4 — CID 70478975

IUPACisoindole-1,3-dione;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C10H6O2.C8H5NO2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;10-7-5-3-1-2-4-6(5)8(11)9-7/h1-6H;1-4H,(H,9,10,11)
InChIKeyCZGUFAYHIPXQNT-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.19
Rot. Bonds

About isoindole-1,3-dione;naphthalene-1,4-dione

isoindole-1,3-dione;naphthalene-1,4-dione (PubChem CID 70478975) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is isoindole-1,3-dione;naphthalene-1,4-dione.

Molecular Properties

Compound Nameisoindole-1,3-dione;naphthalene-1,4-dione
PubChem CID70478975
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Nameisoindole-1,3-dione;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C10H6O2.C8H5NO2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;10-7-5-3-1-2-4-6(5)8(11)9-7/h1-6H;1-4H,(H,9,10,11)
InChIKeyCZGUFAYHIPXQNT-UHFFFAOYSA-N
XLogP2.19
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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
isoindole-1,3-dione;phosphane
CID 89428738
dipotassium;hydride;isoindole-1,3-dione
CID 173033461
CID 157233017
CID 157233017
gold;naphthalene-1,4-dione
CID 159229238
sodium naphthalene-1,4-dione
CID 18935707
hydron;naphthalene-1,4-dione
CID 174880921
bromomethane;isoindole-1,3-dione
CID 158684384
ethane;naphthalene-1,4-dione
CID 54088717
hydrazine;naphthalene-1,4-dione
CID 67783218

Frequently Asked Questions

What is the IUPAC name of isoindole-1,3-dione;naphthalene-1,4-dione?
The IUPAC name of isoindole-1,3-dione;naphthalene-1,4-dione (CID 70478975) is isoindole-1,3-dione;naphthalene-1,4-dione.
What is the SMILES notation for isoindole-1,3-dione;naphthalene-1,4-dione?
The canonical SMILES for isoindole-1,3-dione;naphthalene-1,4-dione is O=C1C=CC(=O)c2ccccc21.O=C1NC(=O)c2ccccc21.
What is the InChIKey of isoindole-1,3-dione;naphthalene-1,4-dione?
The InChIKey is CZGUFAYHIPXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2.C8H5NO2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;10-7-5-3-1-2-4-6(5)8(11)9-7/h1-6H;1-4H,(H,9,10,11).
What are the key properties of isoindole-1,3-dione;naphthalene-1,4-dione?
isoindole-1,3-dione;naphthalene-1,4-dione has a molecular weight of 305.29 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoindole-1,3-dione;naphthalene-1,4-dione is sourced from PubChem (CID 70478975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).