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

C23H35N3O4 — CID 146492011

IUPAC5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESNC1CCCCCCCC(C2CCC3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3C2)C1
InChIInChI=1S/C23H35N3O4/c24-16-7-5-3-1-2-4-6-14(12-16)15-8-9-17-18(13-15)23(30)26(22(17)29)19-10-11-20(27)25-21(19)28/h14-19H,1-13,24H2,(H,25,27,28)
InChIKeyVVWSXNTVWHYKCF-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.27
Rot. Bonds2

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

5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 146492011) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID146492011
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESNC1CCCCCCCC(C2CCC3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3C2)C1
InChIInChI=1S/C23H35N3O4/c24-16-7-5-3-1-2-4-6-14(12-16)15-8-9-17-18(13-15)23(30)26(22(17)29)19-10-11-20(27)25-21(19)28/h14-19H,1-13,24H2,(H,25,27,28)
InChIKeyVVWSXNTVWHYKCF-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-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 146492011) is 5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is NC1CCCCCCCC(C2CCC3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3C2)C1.
What is the InChIKey of 5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is VVWSXNTVWHYKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c24-16-7-5-3-1-2-4-6-14(12-16)15-8-9-17-18(13-15)23(30)26(22(17)29)19-10-11-20(27)25-21(19)28/h14-19H,1-13,24H2,(H,25,27,28).
What are the key properties of 5-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
5-(3-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-(3-aminocyclodecyl)-2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 146492011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).