5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C23H35N3O4 — CID 137445669

IUPAC5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESNC1CCCCCCCCC1C1CCC2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2C1
InChIInChI=1S/C23H35N3O4/c24-18-8-6-4-2-1-3-5-7-15(18)14-9-10-16-17(13-14)23(30)26(22(16)29)19-11-12-20(27)25-21(19)28/h14-19H,1-13,24H2,(H,25,27,28)
InChIKeyXNQKLUIEFFMDSQ-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.27
Rot. Bonds2

About 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 137445669) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID137445669
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESNC1CCCCCCCCC1C1CCC2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2C1
InChIInChI=1S/C23H35N3O4/c24-18-8-6-4-2-1-3-5-7-15(18)14-9-10-16-17(13-14)23(30)26(22(16)29)19-11-12-20(27)25-21(19)28/h14-19H,1-13,24H2,(H,25,27,28)
InChIKeyXNQKLUIEFFMDSQ-UHFFFAOYSA-N
XLogP2.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 137445669) is 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is NC1CCCCCCCCC1C1CCC2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2C1.
What is the InChIKey of 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is XNQKLUIEFFMDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c24-18-8-6-4-2-1-3-5-7-15(18)14-9-10-16-17(13-14)23(30)26(22(16)29)19-11-12-20(27)25-21(19)28/h14-19H,1-13,24H2,(H,25,27,28).
What are the key properties of 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 417.55 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 137445669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).