2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium

C11H23N2O2+ — CID 58298541

IUPAC2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium
SMILESCC1CCC(=O)N1CC[N+](C)(C)CCO
InChIInChI=1S/C11H23N2O2/c1-10-4-5-11(15)12(10)6-7-13(2,3)8-9-14/h10,14H,4-9H2,1-3H3/q+1
InChIKeyBEDGQYJMIQCNRQ-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.07
Rot. Bonds5

About 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium

2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium (PubChem CID 58298541) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium
PubChem CID58298541
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium
SMILESCC1CCC(=O)N1CC[N+](C)(C)CCO
InChIInChI=1S/C11H23N2O2/c1-10-4-5-11(15)12(10)6-7-13(2,3)8-9-14/h10,14H,4-9H2,1-3H3/q+1
InChIKeyBEDGQYJMIQCNRQ-UHFFFAOYSA-N
XLogP0.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium (CID 58298541) is 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium is CC1CCC(=O)N1CC[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium?
The InChIKey is BEDGQYJMIQCNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O2/c1-10-4-5-11(15)12(10)6-7-13(2,3)8-9-14/h10,14H,4-9H2,1-3H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium?
2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium has a molecular weight of 215.32 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]azanium is sourced from PubChem (CID 58298541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).