(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium

C8H16NO2+ — CID 148534902

IUPAC(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium
SMILESCC1(C)CC(=O)C(C)(C)N1[OH2+]
InChIInChI=1S/C8H15NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h11H,5H2,1-4H3/p+1
InChIKeyMQZTWGVNWAVVQH-UHFFFAOYSA-O
MW158.22 g/mol
LogP0.46
Rot. Bonds

About (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium

(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium (PubChem CID 148534902) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium.

Molecular Properties

Compound Name(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium
PubChem CID148534902
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium
SMILESCC1(C)CC(=O)C(C)(C)N1[OH2+]
InChIInChI=1S/C8H15NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h11H,5H2,1-4H3/p+1
InChIKeyMQZTWGVNWAVVQH-UHFFFAOYSA-O
XLogP0.46
TPSA43.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium?
The IUPAC name of (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium (CID 148534902) is (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium.
What is the SMILES notation for (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium?
The canonical SMILES for (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium is CC1(C)CC(=O)C(C)(C)N1[OH2+].
What is the InChIKey of (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium?
The InChIKey is MQZTWGVNWAVVQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h11H,5H2,1-4H3/p+1.
What are the key properties of (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium?
(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium has a molecular weight of 158.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxidanium is sourced from PubChem (CID 148534902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).