2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone

C8H15NO2 — CID 116580438

IUPAC2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCOCC(=O)C1(C)CCCN1
InChIInChI=1S/C8H15NO2/c1-8(4-3-5-9-8)7(10)6-11-2/h9H,3-6H2,1-2H3
InChIKeyAMPYXSSNYCNWBO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.34
Rot. Bonds3

About 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone

2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 116580438) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID116580438
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCOCC(=O)C1(C)CCCN1
InChIInChI=1S/C8H15NO2/c1-8(4-3-5-9-8)7(10)6-11-2/h9H,3-6H2,1-2H3
InChIKeyAMPYXSSNYCNWBO-UHFFFAOYSA-N
XLogP0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one
CID 116580467
N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
CID 64605467
1-(2-methylpyrrolidin-2-yl)hex-5-yn-1-one
CID 116580478
2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580447
2-[2-methoxyethyl-(2-methylpyrrolidine-2-carbonyl)amino]acetic acid
CID 79271494
1-(2-methylpyrrolidin-2-yl)oct-7-en-1-one
CID 107010897
methyl 3-methyldiazinane-3-carboxylate
CID 154020740
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
N-(3-hydroxy-2-methylpropyl)-2-methylpyrrolidine-2-carboxamide
CID 65036100
2-cyclopropylethyl 2-methylpyrrolidine-2-carboxylate
CID 106202469
1-(1-aminocyclopentyl)-2-methoxyethanone
CID 116558746

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone (CID 116580438) is 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone is COCC(=O)C1(C)CCCN1.
What is the InChIKey of 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is AMPYXSSNYCNWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(4-3-5-9-8)7(10)6-11-2/h9H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone?
2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116580438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).