trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium

C10H19N2O3+ — CID 70634349

IUPACtrimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)N1CCCC1=O
InChIInChI=1S/C10H19N2O3/c1-12(2,3)7-8-15-10(14)11-6-4-5-9(11)13/h4-8H2,1-3H3/q+1
InChIKeyBTVWPNSOQCSCNI-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.45
Rot. Bonds3

About trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium

trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium (PubChem CID 70634349) has the molecular formula C10H19N2O3+ and a molecular weight of 215.27 g/mol. Its IUPAC name is trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium
PubChem CID70634349
Molecular FormulaC10H19N2O3+
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Nametrimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)N1CCCC1=O
InChIInChI=1S/C10H19N2O3/c1-12(2,3)7-8-15-10(14)11-6-4-5-9(11)13/h4-8H2,1-3H3/q+1
InChIKeyBTVWPNSOQCSCNI-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium?
The IUPAC name of trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium (CID 70634349) is trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium.
What is the SMILES notation for trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium?
The canonical SMILES for trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium is C[N+](C)(C)CCOC(=O)N1CCCC1=O.
What is the InChIKey of trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium?
The InChIKey is BTVWPNSOQCSCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O3/c1-12(2,3)7-8-15-10(14)11-6-4-5-9(11)13/h4-8H2,1-3H3/q+1.
What are the key properties of trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium?
trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium has a molecular weight of 215.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-oxopyrrolidine-1-carbonyl)oxyethyl]azanium is sourced from PubChem (CID 70634349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).