5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one

C11H21NO2 — CID 106676548

IUPAC5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1CC(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-5-9-8(6-10(13)12-9)7-11(2,3)14-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyWCAGTXFCWPHNBG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one

5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one (PubChem CID 106676548) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one
PubChem CID106676548
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1CC(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-5-9-8(6-10(13)12-9)7-11(2,3)14-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyWCAGTXFCWPHNBG-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-diethylpyrrolidin-2-one
CID 66107645
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
5-ethyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 103348678
5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one
CID 114058152
4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
CID 66102599
5-(2-methylpropyl)-4-propylpyrrolidin-2-one
CID 66107021
(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
CID 58071883
1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane
CID 106676678
(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one
CID 131124388
5-ethyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 82837252
5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one
CID 136766553
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one
CID 100991416

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one (CID 106676548) is 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one is CCC1NC(=O)CC1CC(C)(C)OC.
What is the InChIKey of 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one?
The InChIKey is WCAGTXFCWPHNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9-8(6-10(13)12-9)7-11(2,3)14-4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one?
5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 106676548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).