4-methoxy-3,3,5-trimethylpyrrolidin-2-one

C8H15NO2 — CID 130010210

IUPAC4-methoxy-3,3,5-trimethylpyrrolidin-2-one
SMILESCOC1C(C)NC(=O)C1(C)C
InChIInChI=1S/C8H15NO2/c1-5-6(11-4)8(2,3)7(10)9-5/h5-6H,1-4H3,(H,9,10)
InChIKeyTVXWJAZUSWNDJM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds1

About 4-methoxy-3,3,5-trimethylpyrrolidin-2-one

4-methoxy-3,3,5-trimethylpyrrolidin-2-one (PubChem CID 130010210) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-methoxy-3,3,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-methoxy-3,3,5-trimethylpyrrolidin-2-one
PubChem CID130010210
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-methoxy-3,3,5-trimethylpyrrolidin-2-one
SMILESCOC1C(C)NC(=O)C1(C)C
InChIInChI=1S/C8H15NO2/c1-5-6(11-4)8(2,3)7(10)9-5/h5-6H,1-4H3,(H,9,10)
InChIKeyTVXWJAZUSWNDJM-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3,5-trimethylpyrrolidin-2-one?
The IUPAC name of 4-methoxy-3,3,5-trimethylpyrrolidin-2-one (CID 130010210) is 4-methoxy-3,3,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 4-methoxy-3,3,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 4-methoxy-3,3,5-trimethylpyrrolidin-2-one is COC1C(C)NC(=O)C1(C)C.
What is the InChIKey of 4-methoxy-3,3,5-trimethylpyrrolidin-2-one?
The InChIKey is TVXWJAZUSWNDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6(11-4)8(2,3)7(10)9-5/h5-6H,1-4H3,(H,9,10).
What are the key properties of 4-methoxy-3,3,5-trimethylpyrrolidin-2-one?
4-methoxy-3,3,5-trimethylpyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 130010210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).