5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one

C11H21NO2 — CID 91098046

IUPAC5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCOC1C(C)CC(=O)N1CCC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)5-6-12-10(13)7-9(3)11(12)14-4/h8-9,11H,5-7H2,1-4H3
InChIKeyDJIIOYCYSZUHJT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.87
Rot. Bonds4

About 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one

5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one (PubChem CID 91098046) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one
PubChem CID91098046
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCOC1C(C)CC(=O)N1CCC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)5-6-12-10(13)7-9(3)11(12)14-4/h8-9,11H,5-7H2,1-4H3
InChIKeyDJIIOYCYSZUHJT-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one?
The IUPAC name of 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one (CID 91098046) is 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one?
The canonical SMILES for 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one is COC1C(C)CC(=O)N1CCC(C)C.
What is the InChIKey of 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one?
The InChIKey is DJIIOYCYSZUHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)5-6-12-10(13)7-9(3)11(12)14-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one?
5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-(3-methylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 91098046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).