2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one

C8H14NO2- — CID 12678542

IUPAC2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one
SMILESCC1(C)CC(=O)C(C)(C)N1[O-]
InChIInChI=1S/C8H14NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h5H2,1-4H3/q-1
InChIKeyZMXRHJVSCKSKHK-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.32
Rot. Bonds

About 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one

2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one (PubChem CID 12678542) has the molecular formula C8H14NO2- and a molecular weight of 156.20 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one
PubChem CID12678542
Molecular FormulaC8H14NO2-
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one
SMILESCC1(C)CC(=O)C(C)(C)N1[O-]
InChIInChI=1S/C8H14NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h5H2,1-4H3/q-1
InChIKeyZMXRHJVSCKSKHK-UHFFFAOYSA-N
XLogP1.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one (CID 12678542) is 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one is CC1(C)CC(=O)C(C)(C)N1[O-].
What is the InChIKey of 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one?
The InChIKey is ZMXRHJVSCKSKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h5H2,1-4H3/q-1.
What are the key properties of 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one?
2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one has a molecular weight of 156.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-one is sourced from PubChem (CID 12678542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).