4-(1-methoxyethyl)-3-methylpyrrolidin-2-one

C8H15NO2 — CID 131059717

IUPAC4-(1-methoxyethyl)-3-methylpyrrolidin-2-one
SMILESCOC(C)C1CNC(=O)C1C
InChIInChI=1S/C8H15NO2/c1-5-7(6(2)11-3)4-9-8(5)10/h5-7H,4H2,1-3H3,(H,9,10)
InChIKeyBXIAJKMZDJYZNB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.40
Rot. Bonds2

About 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one

4-(1-methoxyethyl)-3-methylpyrrolidin-2-one (PubChem CID 131059717) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-methoxyethyl)-3-methylpyrrolidin-2-one
PubChem CID131059717
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(1-methoxyethyl)-3-methylpyrrolidin-2-one
SMILESCOC(C)C1CNC(=O)C1C
InChIInChI=1S/C8H15NO2/c1-5-7(6(2)11-3)4-9-8(5)10/h5-7H,4H2,1-3H3,(H,9,10)
InChIKeyBXIAJKMZDJYZNB-UHFFFAOYSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one (CID 131059717) is 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one is COC(C)C1CNC(=O)C1C.
What is the InChIKey of 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one?
The InChIKey is BXIAJKMZDJYZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(6(2)11-3)4-9-8(5)10/h5-7H,4H2,1-3H3,(H,9,10).
What are the key properties of 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one?
4-(1-methoxyethyl)-3-methylpyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 131059717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).