1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione

C22H26N2O3 — CID 11574170

IUPAC1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)C(C(=O)c2cn(CCN3C(=O)CCC3=O)c3ccccc23)C1(C)C
InChIInChI=1S/C22H26N2O3/c1-21(2)20(22(21,3)4)19(27)15-13-23(16-8-6-5-7-14(15)16)11-12-24-17(25)9-10-18(24)26/h5-8,13,20H,9-12H2,1-4H3
InChIKeyAVPCNOHVEKLSOS-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 11574170) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID11574170
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)C(C(=O)c2cn(CCN3C(=O)CCC3=O)c3ccccc23)C1(C)C
InChIInChI=1S/C22H26N2O3/c1-21(2)20(22(21,3)4)19(27)15-13-23(16-8-6-5-7-14(15)16)11-12-24-17(25)9-10-18(24)26/h5-8,13,20H,9-12H2,1-4H3
InChIKeyAVPCNOHVEKLSOS-UHFFFAOYSA-N
XLogP3.66
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.66
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 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione (CID 11574170) is 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione is CC1(C)C(C(=O)c2cn(CCN3C(=O)CCC3=O)c3ccccc23)C1(C)C.
What is the InChIKey of 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is AVPCNOHVEKLSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-21(2)20(22(21,3)4)19(27)15-13-23(16-8-6-5-7-14(15)16)11-12-24-17(25)9-10-18(24)26/h5-8,13,20H,9-12H2,1-4H3.
What are the key properties of 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 366.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11574170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).