1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone

C10H17NO — CID 172577727

IUPAC1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone
SMILESCC(=O)N1CC2CCCC2(C)C1
InChIInChI=1S/C10H17NO/c1-8(12)11-6-9-4-3-5-10(9,2)7-11/h9H,3-7H2,1-2H3
InChIKeyOXUVHLZBAYISHW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds

About 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone

1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone (PubChem CID 172577727) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone
PubChem CID172577727
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone
SMILESCC(=O)N1CC2CCCC2(C)C1
InChIInChI=1S/C10H17NO/c1-8(12)11-6-9-4-3-5-10(9,2)7-11/h9H,3-7H2,1-2H3
InChIKeyOXUVHLZBAYISHW-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone
CID 156753896
1-[(3aR)-3a-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone;ethane;hydrofluoride
CID 172577537
8-acetyl-10,10-difluoro-8-azabicyclo[4.3.1]decane-1-carboxylic acid
CID 167729399
1-(9-azatricyclo[5.3.0.01,4]decan-9-yl)ethanone
CID 163688381
1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
CID 172577529
(3aS,6aR)-2-(1-methylcyclopentanecarbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682511
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
tert-butyl (3S)-3-(1-methylcyclohexyl)pyrrolidine-1-carboxylate
CID 154468879
1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone
CID 167740587
1-[(4S)-3,3,4-trimethylpyrrolidin-1-yl]ethanone
CID 174295698
1-(3a-hydroxy-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 170730118
(3aS,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid
CID 130764332

Frequently Asked Questions

What is the IUPAC name of 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone?
The IUPAC name of 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone (CID 172577727) is 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone is CC(=O)N1CC2CCCC2(C)C1.
What is the InChIKey of 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone?
The InChIKey is OXUVHLZBAYISHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)11-6-9-4-3-5-10(9,2)7-11/h9H,3-7H2,1-2H3.
What are the key properties of 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone?
1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethanone is sourced from PubChem (CID 172577727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).