pyrrolidin-2-one;tetramethylazanium

C8H19N2O+ — CID 21484020

IUPACpyrrolidin-2-one;tetramethylazanium
SMILESC[N+](C)(C)C.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H12N/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1-4H3/q;+1
InChIKeyNQQGGSQKEZQMFW-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.22
Rot. Bonds

About pyrrolidin-2-one;tetramethylazanium

pyrrolidin-2-one;tetramethylazanium (PubChem CID 21484020) has the molecular formula C8H19N2O+ and a molecular weight of 159.25 g/mol. Its IUPAC name is pyrrolidin-2-one;tetramethylazanium.

Molecular Properties

Compound Namepyrrolidin-2-one;tetramethylazanium
PubChem CID21484020
Molecular FormulaC8H19N2O+
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC Namepyrrolidin-2-one;tetramethylazanium
SMILESC[N+](C)(C)C.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H12N/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1-4H3/q;+1
InChIKeyNQQGGSQKEZQMFW-UHFFFAOYSA-N
XLogP0.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 pyrrolidin-2-one;tetramethylazanium?
The IUPAC name of pyrrolidin-2-one;tetramethylazanium (CID 21484020) is pyrrolidin-2-one;tetramethylazanium.
What is the SMILES notation for pyrrolidin-2-one;tetramethylazanium?
The canonical SMILES for pyrrolidin-2-one;tetramethylazanium is C[N+](C)(C)C.O=C1CCCN1.
What is the InChIKey of pyrrolidin-2-one;tetramethylazanium?
The InChIKey is NQQGGSQKEZQMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H12N/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1-4H3/q;+1.
What are the key properties of pyrrolidin-2-one;tetramethylazanium?
pyrrolidin-2-one;tetramethylazanium has a molecular weight of 159.25 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-one;tetramethylazanium is sourced from PubChem (CID 21484020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).