2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one

C11H21NO — CID 110728155

IUPAC2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCCC1C
InChIInChI=1S/C11H21NO/c1-4-10(5-2)11(13)12-8-6-7-9(12)3/h9-10H,4-8H2,1-3H3
InChIKeyXMCXEWKLIZYXIL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds3

About 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one

2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 110728155) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
PubChem CID110728155
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCCC1C
InChIInChI=1S/C11H21NO/c1-4-10(5-2)11(13)12-8-6-7-9(12)3/h9-10H,4-8H2,1-3H3
InChIKeyXMCXEWKLIZYXIL-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 43429060
2-(ethylamino)-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142517218
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62274755
(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
[1-(2-ethylpentanoyl)pyrrolidin-2-yl]boronic acid
CID 143049678
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (CID 110728155) is 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is CCC(CC)C(=O)N1CCCC1C.
What is the InChIKey of 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is XMCXEWKLIZYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(5-2)11(13)12-8-6-7-9(12)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 110728155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).