3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one

C10H15NO2 — CID 142089656

IUPAC3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one
SMILESCC(=O)C1C2CCC(=O)C2CN1C
InChIInChI=1S/C10H15NO2/c1-6(12)10-7-3-4-9(13)8(7)5-11(10)2/h7-8,10H,3-5H2,1-2H3
InChIKeyGXCYAKHDMZJDHF-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.48
Rot. Bonds1

About 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one

3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one (PubChem CID 142089656) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one.

Molecular Properties

Compound Name3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one
PubChem CID142089656
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one
SMILESCC(=O)C1C2CCC(=O)C2CN1C
InChIInChI=1S/C10H15NO2/c1-6(12)10-7-3-4-9(13)8(7)5-11(10)2/h7-8,10H,3-5H2,1-2H3
InChIKeyGXCYAKHDMZJDHF-UHFFFAOYSA-N
XLogP0.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58849992
(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione
CID 102156488
(1S,4aS)-1-acetyl-2-methyl-7-phenyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
CID 70364751
(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
CID 129403940
(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
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CID 45085035
[(1R,4aR,8aR)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl] acetate
CID 101254785
1-[(1S,3aR,4S,7R,7aS)-2-methyl-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindol-1-yl]ethanone
CID 174169304
(1R,5S,6S)-6-(hydroxymethyl)bicyclo[3.2.0]heptan-2-one
CID 102285247
methyl (4aR,7aS)-2-methyl-7-oxo-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
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(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one?
The IUPAC name of 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one (CID 142089656) is 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one.
What is the SMILES notation for 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one?
The canonical SMILES for 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one is CC(=O)C1C2CCC(=O)C2CN1C.
What is the InChIKey of 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one?
The InChIKey is GXCYAKHDMZJDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(12)10-7-3-4-9(13)8(7)5-11(10)2/h7-8,10H,3-5H2,1-2H3.
What are the key properties of 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one?
3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one has a molecular weight of 181.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one is sourced from PubChem (CID 142089656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).