1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone

C11H19NO — CID 70337370

IUPAC1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
SMILESCC(=O)[C@H]1NCC2C1CCC2(C)C
InChIInChI=1S/C11H19NO/c1-7(13)10-8-4-5-11(2,3)9(8)6-12-10/h8-10,12H,4-6H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyUHHUUOONVGLBOO-UDNWOFFPSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds1

About 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone

1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone (PubChem CID 70337370) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
PubChem CID70337370
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
SMILESCC(=O)[C@H]1NCC2C1CCC2(C)C
InChIInChI=1S/C11H19NO/c1-7(13)10-8-4-5-11(2,3)9(8)6-12-10/h8-10,12H,4-6H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyUHHUUOONVGLBOO-UDNWOFFPSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-5-chloro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]ethanone
CID 70337884
ethyl (3S,3aS,6R,6aR)-6-hydroxy-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 59519757
ethyl (3aS,6aR)-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 154555213
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893219
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
(2S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 91535472
methyl (1S,2R,5R)-3-azabicyclo[3.2.0]heptane-2-carboxylate
CID 136589535
6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl chloride
CID 168878796
(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
CID 163342230
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 102893046

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone (CID 70337370) is 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone is CC(=O)[C@H]1NCC2C1CCC2(C)C.
What is the InChIKey of 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone?
The InChIKey is UHHUUOONVGLBOO-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(13)10-8-4-5-11(2,3)9(8)6-12-10/h8-10,12H,4-6H2,1-3H3/t8?,9?,10-/m1/s1.
What are the key properties of 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone?
1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone is sourced from PubChem (CID 70337370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).