3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione

C22H26N2O4 — CID 126464410

IUPAC3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(C2(CC(=O)N3CC4CCC3C4)CC(=O)N(C3CC3)C2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-28-18-8-3-15(4-9-18)22(12-20(26)24(21(22)27)16-6-7-16)11-19(25)23-13-14-2-5-17(23)10-14/h3-4,8-9,14,16-17H,2,5-7,10-13H2,1H3
InChIKeyVZXHSARVTJTBNQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.26
Rot. Bonds5

About 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione

3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 126464410) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID126464410
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(C2(CC(=O)N3CC4CCC3C4)CC(=O)N(C3CC3)C2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-28-18-8-3-15(4-9-18)22(12-20(26)24(21(22)27)16-6-7-16)11-19(25)23-13-14-2-5-17(23)10-14/h3-4,8-9,14,16-17H,2,5-7,10-13H2,1H3
InChIKeyVZXHSARVTJTBNQ-UHFFFAOYSA-N
XLogP2.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.26
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 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 126464410) is 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(C2(CC(=O)N3CC4CCC3C4)CC(=O)N(C3CC3)C2=O)cc1.
What is the InChIKey of 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is VZXHSARVTJTBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-28-18-8-3-15(4-9-18)22(12-20(26)24(21(22)27)16-6-7-16)11-19(25)23-13-14-2-5-17(23)10-14/h3-4,8-9,14,16-17H,2,5-7,10-13H2,1H3.
What are the key properties of 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione?
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 382.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 126464410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).