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

C9H17NO2 — CID 146169312

IUPAC1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one
SMILESCON1C(C)(C)CC(=O)C1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)6-7(11)9(3,4)10(8)12-5/h6H2,1-5H3
InChIKeyTVUUESJZCQXNCY-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds1

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

1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one (PubChem CID 146169312) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one
PubChem CID146169312
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one
SMILESCON1C(C)(C)CC(=O)C1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)6-7(11)9(3,4)10(8)12-5/h6H2,1-5H3
InChIKeyTVUUESJZCQXNCY-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one
CID 15265416
CID 52942966
CID 52942966
1-Methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione
CID 146169233
CID 146169311
CID 146169311
2,2,5,5-Tetramethyl-1-oxidopyrrolidin-1-ium-3-one
CID 44344002
CID 58581261
CID 58581261
1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione
CID 67170396
Hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride
CID 69047581
1-Hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride
CID 69256511
Trihydroxy-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)oxyphosphanium
CID 91591242
2,2,5,5-Tetramethyl-1-oxidopyrrolidin-1-ium-3,4-dione
CID 141137338
(2,2,5,5-Tetramethyl-3-oxopyrrolidin-1-yl)oxidanium
CID 148534902

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one?
The IUPAC name of 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one (CID 146169312) is 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one.
What is the SMILES notation for 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one?
The canonical SMILES for 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one is CON1C(C)(C)CC(=O)C1(C)C.
What is the InChIKey of 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one?
The InChIKey is TVUUESJZCQXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)6-7(11)9(3,4)10(8)12-5/h6H2,1-5H3.
What are the key properties of 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one?
1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one has a molecular weight of 171.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-one is sourced from PubChem (CID 146169312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).