trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide

C8H17IN2O — CID 3038566

IUPACtrimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide
SMILESC[N+](C)(C)CN1CCCC1=O.[I-]
InChIInChI=1S/C8H17N2O.HI/c1-10(2,3)7-9-6-4-5-8(9)11;/h4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyHVQORIWGYSKPSI-UHFFFAOYSA-M
MW284.14 g/mol
LogP-2.72
Rot. Bonds2

About trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide

trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide (PubChem CID 3038566) has the molecular formula C8H17IN2O and a molecular weight of 284.14 g/mol. Its IUPAC name is trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide
PubChem CID3038566
Molecular FormulaC8H17IN2O
Molecular Weight284.14 g/mol
Exact Mass284.04
IUPAC Nametrimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide
SMILESC[N+](C)(C)CN1CCCC1=O.[I-]
InChIInChI=1S/C8H17N2O.HI/c1-10(2,3)7-9-6-4-5-8(9)11;/h4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyHVQORIWGYSKPSI-UHFFFAOYSA-M
XLogP-2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 5-2.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide?
The IUPAC name of trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide (CID 3038566) is trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide.
What is the SMILES notation for trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide?
The canonical SMILES for trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide is C[N+](C)(C)CN1CCCC1=O.[I-].
What is the InChIKey of trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide?
The InChIKey is HVQORIWGYSKPSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17N2O.HI/c1-10(2,3)7-9-6-4-5-8(9)11;/h4-7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide?
trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide has a molecular weight of 284.14 g/mol, XLogP of -2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium iodide is sourced from PubChem (CID 3038566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).