1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one

C8H15NO2 — CID 15265416

IUPAC1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one
SMILESCC1(C)CC(=O)C(C)(C)N1O
InChIInChI=1S/C8H15NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h11H,5H2,1-4H3
InChIKeyMQZTWGVNWAVVQH-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.21
Rot. Bonds

About 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one

1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one (PubChem CID 15265416) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one
PubChem CID15265416
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one
SMILESCC1(C)CC(=O)C(C)(C)N1O
InChIInChI=1S/C8H15NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h11H,5H2,1-4H3
InChIKeyMQZTWGVNWAVVQH-UHFFFAOYSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one?
The IUPAC name of 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one (CID 15265416) is 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one.
What is the SMILES notation for 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one?
The canonical SMILES for 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one is CC1(C)CC(=O)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one?
The InChIKey is MQZTWGVNWAVVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)5-6(10)8(3,4)9(7)11/h11H,5H2,1-4H3.
What are the key properties of 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one?
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one has a molecular weight of 157.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one is sourced from PubChem (CID 15265416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).