2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione

C19H12N2O5 — CID 23374871

IUPAC2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H12N2O5/c22-15(21-18(25)13-7-3-4-8-14(13)19(21)26)9-10-20-16(23)11-5-1-2-6-12(11)17(20)24/h1-8H,9-10H2
InChIKeyNVRIGFCIDKMDCO-UHFFFAOYSA-N
MW348.31 g/mol
LogP1.50
Rot. Bonds3

About 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione

2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione (PubChem CID 23374871) has the molecular formula C19H12N2O5 and a molecular weight of 348.31 g/mol. Its IUPAC name is 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
PubChem CID23374871
Molecular FormulaC19H12N2O5
Molecular Weight348.31 g/mol
Exact Mass348.07
IUPAC Name2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H12N2O5/c22-15(21-18(25)13-7-3-4-8-14(13)19(21)26)9-10-20-16(23)11-5-1-2-6-12(11)17(20)24/h1-8H,9-10H2
InChIKeyNVRIGFCIDKMDCO-UHFFFAOYSA-N
XLogP1.50
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(4-bromo-3-oxo(414C)butyl)isoindole-1,3-dione
CID 10334833
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-[3-[4-(4-chlorobutanoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108568447
2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 44782372
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-[3-(bromomethyl)but-3-enyl]isoindole-1,3-dione
CID 66603406
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
2-[3-(4-bromophenyl)-3-oxopropyl]isoindole-1,3-dione
CID 59446740
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
CID 51074410
2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]isoindole-1,3-dione
CID 5083053

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione (CID 23374871) is 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC(=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is NVRIGFCIDKMDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O5/c22-15(21-18(25)13-7-3-4-8-14(13)19(21)26)9-10-20-16(23)11-5-1-2-6-12(11)17(20)24/h1-8H,9-10H2.
What are the key properties of 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione?
2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 348.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 23374871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).