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

C8H15NO2 — CID 89120787

IUPAC1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
SMILESCOCCN1CC(C)CC1=O
InChIInChI=1S/C8H15NO2/c1-7-5-8(10)9(6-7)3-4-11-2/h7H,3-6H2,1-2H3
InChIKeySNNWEBDRIVNFON-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds3

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

1-(2-methoxyethyl)-4-methylpyrrolidin-2-one (PubChem CID 89120787) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
PubChem CID89120787
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
SMILESCOCCN1CC(C)CC1=O
InChIInChI=1S/C8H15NO2/c1-7-5-8(10)9(6-7)3-4-11-2/h7H,3-6H2,1-2H3
InChIKeySNNWEBDRIVNFON-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one
CID 117014863
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
3-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]propanoic acid
CID 112514282
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038
1-(4-bromobutyl)-4-methylpyrrolidin-2-one
CID 63103884
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
CID 168988048
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one (CID 89120787) is 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one is COCCN1CC(C)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one?
The InChIKey is SNNWEBDRIVNFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-5-8(10)9(6-7)3-4-11-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one?
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 89120787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).