3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide

C11H21IN2O2 — CID 11958777

IUPAC3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide
SMILESC[N+](C)(C)CCCN1C(=O)CCCC1=O.[I-]
InChIInChI=1S/C11H21N2O2.HI/c1-13(2,3)9-5-8-12-10(14)6-4-7-11(12)15;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyJDCFGIBGMHLOOQ-UHFFFAOYSA-M
MW340.21 g/mol
LogP-2.37
Rot. Bonds4

About 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide

3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide (PubChem CID 11958777) has the molecular formula C11H21IN2O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide.

Molecular Properties

Compound Name3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide
PubChem CID11958777
Molecular FormulaC11H21IN2O2
Molecular Weight340.21 g/mol
Exact Mass340.06
IUPAC Name3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide
SMILESC[N+](C)(C)CCCN1C(=O)CCCC1=O.[I-]
InChIInChI=1S/C11H21N2O2.HI/c1-13(2,3)9-5-8-12-10(14)6-4-7-11(12)15;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyJDCFGIBGMHLOOQ-UHFFFAOYSA-M
XLogP-2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 5-2.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide?
The IUPAC name of 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide (CID 11958777) is 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide.
What is the SMILES notation for 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide?
The canonical SMILES for 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide is C[N+](C)(C)CCCN1C(=O)CCCC1=O.[I-].
What is the InChIKey of 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide?
The InChIKey is JDCFGIBGMHLOOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21N2O2.HI/c1-13(2,3)9-5-8-12-10(14)6-4-7-11(12)15;/h4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide?
3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide has a molecular weight of 340.21 g/mol, XLogP of -2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxopiperidin-1-yl)propyl-trimethylazanium iodide is sourced from PubChem (CID 11958777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).