2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

C19H22N2O4 — CID 10712328

IUPAC2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1CCCN1C(=O)C2=C(CCCC2)C1=O
InChIInChI=1S/C19H22N2O4/c22-16-12-6-1-2-7-13(12)17(23)20(16)10-5-11-21-18(24)14-8-3-4-9-15(14)19(21)25/h1-11H2
InChIKeyIEVWIKJHPWEDER-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.86
Rot. Bonds4

About 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 10712328) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID10712328
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1CCCN1C(=O)C2=C(CCCC2)C1=O
InChIInChI=1S/C19H22N2O4/c22-16-12-6-1-2-7-13(12)17(23)20(16)10-5-11-21-18(24)14-8-3-4-9-15(14)19(21)25/h1-11H2
InChIKeyIEVWIKJHPWEDER-UHFFFAOYSA-N
XLogP1.86
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 10712328) is 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione is O=C1C2=C(CCCC2)C(=O)N1CCCN1C(=O)C2=C(CCCC2)C1=O.
What is the InChIKey of 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is IEVWIKJHPWEDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-16-12-6-1-2-7-13(12)17(23)20(16)10-5-11-21-18(24)14-8-3-4-9-15(14)19(21)25/h1-11H2.
What are the key properties of 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 342.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 10712328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).