5-acetyl-1-methylpyrrolidin-3-one;ethane

C9H17NO2 — CID 142036222

IUPAC5-acetyl-1-methylpyrrolidin-3-one;ethane
SMILESCC.CC(=O)C1CC(=O)CN1C
InChIInChI=1S/C7H11NO2.C2H6/c1-5(9)7-3-6(10)4-8(7)2;1-2/h7H,3-4H2,1-2H3;1-2H3
InChIKeyWRRSMBBZOQBAIC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.87
Rot. Bonds1

About 5-acetyl-1-methylpyrrolidin-3-one;ethane

5-acetyl-1-methylpyrrolidin-3-one;ethane (PubChem CID 142036222) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-acetyl-1-methylpyrrolidin-3-one;ethane.

Molecular Properties

Compound Name5-acetyl-1-methylpyrrolidin-3-one;ethane
PubChem CID142036222
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-acetyl-1-methylpyrrolidin-3-one;ethane
SMILESCC.CC(=O)C1CC(=O)CN1C
InChIInChI=1S/C7H11NO2.C2H6/c1-5(9)7-3-6(10)4-8(7)2;1-2/h7H,3-4H2,1-2H3;1-2H3
InChIKeyWRRSMBBZOQBAIC-UHFFFAOYSA-N
XLogP0.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-acetyl-1-propanoylpyrrolidin-3-one
CID 142269087
ethane;1-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl)ethanone
CID 143089412
3-acetyl-2-methyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
CID 20820154
methyl 1-methyl-5-oxopiperidine-2-carboxylate
CID 131405839
tert-butyl 2-acetyl-4-oxopiperidine-1-carboxylate
CID 77452835
methyl (2S,3S)-3-(2-hydroxypropan-2-yl)-1-methyl-4-oxopyrrolidine-2-carboxylate;methyl (2S)-1-methyl-4-oxopyrrolidine-2-carboxylate
CID 158628247
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one
CID 59248753
6-acetylpiperidine-2,4-dione
CID 89154967
1-(1-acetyl-4-methylidenepyrrolidin-2-yl)ethanone
CID 142269029
(3S,6R)-6-acetyl-3-(hydroxymethyl)-4-methylpiperazin-2-one
CID 59460336
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-methylpyrrolidin-3-one;ethane?
The IUPAC name of 5-acetyl-1-methylpyrrolidin-3-one;ethane (CID 142036222) is 5-acetyl-1-methylpyrrolidin-3-one;ethane.
What is the SMILES notation for 5-acetyl-1-methylpyrrolidin-3-one;ethane?
The canonical SMILES for 5-acetyl-1-methylpyrrolidin-3-one;ethane is CC.CC(=O)C1CC(=O)CN1C.
What is the InChIKey of 5-acetyl-1-methylpyrrolidin-3-one;ethane?
The InChIKey is WRRSMBBZOQBAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C2H6/c1-5(9)7-3-6(10)4-8(7)2;1-2/h7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 5-acetyl-1-methylpyrrolidin-3-one;ethane?
5-acetyl-1-methylpyrrolidin-3-one;ethane has a molecular weight of 171.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-methylpyrrolidin-3-one;ethane is sourced from PubChem (CID 142036222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).