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

C10H21IN2O2 — CID 20004

IUPACtrimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide
SMILESC[N+](C)(C)CCOCN1CCCC1=O.[I-]
InChIInChI=1S/C10H21N2O2.HI/c1-12(2,3)7-8-14-9-11-6-4-5-10(11)13;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyWYGVOKICVOKOHQ-UHFFFAOYSA-M
MW328.19 g/mol
LogP-2.71
Rot. Bonds5

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

trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide (PubChem CID 20004) has the molecular formula C10H21IN2O2 and a molecular weight of 328.19 g/mol. Its IUPAC name is trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide
PubChem CID20004
Molecular FormulaC10H21IN2O2
Molecular Weight328.19 g/mol
Exact Mass328.06
IUPAC Nametrimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide
SMILESC[N+](C)(C)CCOCN1CCCC1=O.[I-]
InChIInChI=1S/C10H21N2O2.HI/c1-12(2,3)7-8-14-9-11-6-4-5-10(11)13;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyWYGVOKICVOKOHQ-UHFFFAOYSA-M
XLogP-2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 5-2.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide?
The IUPAC name of trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide (CID 20004) is trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide.
What is the SMILES notation for trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide?
The canonical SMILES for trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide is C[N+](C)(C)CCOCN1CCCC1=O.[I-].
What is the InChIKey of trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide?
The InChIKey is WYGVOKICVOKOHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N2O2.HI/c1-12(2,3)7-8-14-9-11-6-4-5-10(11)13;/h4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide?
trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide has a molecular weight of 328.19 g/mol, XLogP of -2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide is sourced from PubChem (CID 20004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).