2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate

C24H28N2O8 — CID 3242154

IUPAC2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(=O)C(C)(C)C)c(=O)c3cc2c1=O
InChIInChI=1S/C24H28N2O8/c1-23(2,3)21(31)33-9-7-25-17(27)13-11-15-16(12-14(13)18(25)28)20(30)26(19(15)29)8-10-34-22(32)24(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyFFVNMUMIHFMYNW-UHFFFAOYSA-N
MW472.49 g/mol
LogP1.09
Rot. Bonds6

About 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate

2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 3242154) has the molecular formula C24H28N2O8 and a molecular weight of 472.49 g/mol. Its IUPAC name is 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate
PubChem CID3242154
Molecular FormulaC24H28N2O8
Molecular Weight472.49 g/mol
Exact Mass472.18
IUPAC Name2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(=O)C(C)(C)C)c(=O)c3cc2c1=O
InChIInChI=1S/C24H28N2O8/c1-23(2,3)21(31)33-9-7-25-17(27)13-11-15-16(12-14(13)18(25)28)20(30)26(19(15)29)8-10-34-22(32)24(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyFFVNMUMIHFMYNW-UHFFFAOYSA-N
XLogP1.09
TPSA130.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate (CID 3242154) is 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(=O)C(C)(C)C)c(=O)c3cc2c1=O.
What is the InChIKey of 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is FFVNMUMIHFMYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O8/c1-23(2,3)21(31)33-9-7-25-17(27)13-11-15-16(12-14(13)18(25)28)20(30)26(19(15)29)8-10-34-22(32)24(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate?
2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 472.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2-dimethylpropanoyloxy)ethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 3242154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).