2-hydroxyethyl(trimethyl)azanium;pyrrolidine

C9H23N2O+ — CID 22496163

IUPAC2-hydroxyethyl(trimethyl)azanium;pyrrolidine
SMILESC1CCNC1.C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C4H9N/c1-6(2,3)4-5-7;1-2-4-5-3-1/h7H,4-5H2,1-3H3;5H,1-4H2/q+1;
InChIKeyGYBGNFNVHXOZPQ-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.05
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;pyrrolidine

2-hydroxyethyl(trimethyl)azanium;pyrrolidine (PubChem CID 22496163) has the molecular formula C9H23N2O+ and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;pyrrolidine.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;pyrrolidine
PubChem CID22496163
Molecular FormulaC9H23N2O+
Molecular Weight175.30 g/mol
Exact Mass175.18
IUPAC Name2-hydroxyethyl(trimethyl)azanium;pyrrolidine
SMILESC1CCNC1.C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C4H9N/c1-6(2,3)4-5-7;1-2-4-5-3-1/h7H,4-5H2,1-3H3;5H,1-4H2/q+1;
InChIKeyGYBGNFNVHXOZPQ-UHFFFAOYSA-N
XLogP0.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
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(trimethyl)azanium;pyrrolidine?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;pyrrolidine (CID 22496163) is 2-hydroxyethyl(trimethyl)azanium;pyrrolidine.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;pyrrolidine?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;pyrrolidine is C1CCNC1.C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;pyrrolidine?
The InChIKey is GYBGNFNVHXOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.C4H9N/c1-6(2,3)4-5-7;1-2-4-5-3-1/h7H,4-5H2,1-3H3;5H,1-4H2/q+1;.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;pyrrolidine?
2-hydroxyethyl(trimethyl)azanium;pyrrolidine has a molecular weight of 175.30 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;pyrrolidine is sourced from PubChem (CID 22496163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).