1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane

C12H23NO2 — CID 142269040

IUPAC1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane
SMILESCC.CCC(=O)N1C(C)CCC1C(C)=O
InChIInChI=1S/C10H17NO2.C2H6/c1-4-10(13)11-7(2)5-6-9(11)8(3)12;1-2/h7,9H,4-6H2,1-3H3;1-2H3
InChIKeyAFKJGXNIVFPEBY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.39
Rot. Bonds2

About 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane

1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane (PubChem CID 142269040) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane
PubChem CID142269040
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane
SMILESCC.CCC(=O)N1C(C)CCC1C(C)=O
InChIInChI=1S/C10H17NO2.C2H6/c1-4-10(13)11-7(2)5-6-9(11)8(3)12;1-2/h7,9H,4-6H2,1-3H3;1-2H3
InChIKeyAFKJGXNIVFPEBY-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5R)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 161467903
methyl (2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylate
CID 89393988
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
2-bromo-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone
CID 45080682
butan-2-one;methyl (2S)-5-methyl-1-propanoylpyrrolidine-2-carboxylate;methyl (2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylate;methyl (2S,5R)-5-methyl-1-propanoylpyrrolidine-2-carboxylate;methyl (2S)-5-methylpyrrolidine-2-carboxylate;(2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5R)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 162190772
1-[(3R,5S)-3,5-dimethylmorpholin-4-yl]propan-1-one
CID 118219644
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
(2S,5S)-2,5-dimethylpyrrolidine-1-carbothioic S-acid
CID 88721529
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-methylpyrrolidine-1,2-dicarboxylate
CID 124561971
1-(1-acetyl-5-chloropyrrolidin-2-yl)ethanone
CID 143025391
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane?
The IUPAC name of 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane (CID 142269040) is 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane.
What is the SMILES notation for 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane?
The canonical SMILES for 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane is CC.CCC(=O)N1C(C)CCC1C(C)=O.
What is the InChIKey of 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane?
The InChIKey is AFKJGXNIVFPEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.C2H6/c1-4-10(13)11-7(2)5-6-9(11)8(3)12;1-2/h7,9H,4-6H2,1-3H3;1-2H3.
What are the key properties of 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane?
1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane has a molecular weight of 213.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane is sourced from PubChem (CID 142269040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).