5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione

C17H10N2O4 — CID 834245

IUPAC5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Cc3ccc4c(c3)C(=O)NC4=O)ccc21
InChIInChI=1S/C17H10N2O4/c20-14-10-3-1-8(6-12(10)16(22)18-14)5-9-2-4-11-13(7-9)17(23)19-15(11)21/h1-4,6-7H,5H2,(H,18,20,22)(H,19,21,23)
InChIKeyRMQKJHRJCCUUJN-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.04
Rot. Bonds2

About 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione

5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione (PubChem CID 834245) has the molecular formula C17H10N2O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione
PubChem CID834245
Molecular FormulaC17H10N2O4
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Cc3ccc4c(c3)C(=O)NC4=O)ccc21
InChIInChI=1S/C17H10N2O4/c20-14-10-3-1-8(6-12(10)16(22)18-14)5-9-2-4-11-13(7-9)17(23)19-15(11)21/h1-4,6-7H,5H2,(H,18,20,22)(H,19,21,23)
InChIKeyRMQKJHRJCCUUJN-UHFFFAOYSA-N
XLogP1.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phthalimide
CID 6809
N,N'-Trimethylenediphthalimide
CID 248109
N-(Phenylseleno)phthalimide
CID 590397
2,3-Naphthalenedicarboximide
CID 335194
2-Benzoyl-1H-isoindole-1,3(2H)-dione
CID 97623
N-(3-Phenylallyl)phthalimide
CID 5389074
4-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 228085
Benzeneacetamide, N-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CID 809038
N-phenethyl phthalimide
CID 348641
Benzo(1,2-c:4,5-c')dipyrrole-1,3,5,7(2H,6H)-tetrone
CID 75696
2,2'-Thiobis(1H-isoindole-1,3(2H)-dione)
CID 82196
Phthalimidophthalimide
CID 96315

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione (CID 834245) is 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione is O=C1NC(=O)c2cc(Cc3ccc4c(c3)C(=O)NC4=O)ccc21.
What is the InChIKey of 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione?
The InChIKey is RMQKJHRJCCUUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O4/c20-14-10-3-1-8(6-12(10)16(22)18-14)5-9-2-4-11-13(7-9)17(23)19-15(11)21/h1-4,6-7H,5H2,(H,18,20,22)(H,19,21,23).
What are the key properties of 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione?
5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione has a molecular weight of 306.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 834245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).