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

C10H21N2O2+ — CID 20005

IUPACtrimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium
SMILESC[N+](C)(C)CCOCN1CCCC1=O
InChIInChI=1S/C10H21N2O2/c1-12(2,3)7-8-14-9-11-6-4-5-10(11)13/h4-9H2,1-3H3/q+1
InChIKeyQISFYLSEKIOUQG-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.29
Rot. Bonds5

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

trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium (PubChem CID 20005) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium
PubChem CID20005
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Nametrimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium
SMILESC[N+](C)(C)CCOCN1CCCC1=O
InChIInChI=1S/C10H21N2O2/c1-12(2,3)7-8-14-9-11-6-4-5-10(11)13/h4-9H2,1-3H3/q+1
InChIKeyQISFYLSEKIOUQG-UHFFFAOYSA-N
XLogP0.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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?
The IUPAC name of trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium (CID 20005) is trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium is C[N+](C)(C)CCOCN1CCCC1=O.
What is the InChIKey of trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium?
The InChIKey is QISFYLSEKIOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O2/c1-12(2,3)7-8-14-9-11-6-4-5-10(11)13/h4-9H2,1-3H3/q+1.
What are the key properties of trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium?
trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium has a molecular weight of 201.29 g/mol, XLogP of 0.29, 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 is sourced from PubChem (CID 20005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).