1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate

C9H13NO2 — CID 145054795

IUPAC1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate
SMILESCC(=O)OC1CCC2=C1CNC2
InChIInChI=1S/C9H13NO2/c1-6(11)12-9-3-2-7-4-10-5-8(7)9/h9-10H,2-5H2,1H3
InChIKeyQZSUVPHJERNZBQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds1

About 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate

1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate (PubChem CID 145054795) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate.

Molecular Properties

Compound Name1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate
PubChem CID145054795
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate
SMILESCC(=O)OC1CCC2=C1CNC2
InChIInChI=1S/C9H13NO2/c1-6(11)12-9-3-2-7-4-10-5-8(7)9/h9-10H,2-5H2,1H3
InChIKeyQZSUVPHJERNZBQ-UHFFFAOYSA-N
XLogP0.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,5S)-5-acetyloxy-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl] acetate
CID 10658458
[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate
CID 162420340
(6-oxopiperazin-2-yl) acetate
CID 174447712
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate
CID 100962209
(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 174515763
ethane;piperidin-4-yl acetate
CID 144574283
[(1R,3R,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl] acetate
CID 11321770
(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 66584298
(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
CID 158302570
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate?
The IUPAC name of 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate (CID 145054795) is 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate.
What is the SMILES notation for 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate?
The canonical SMILES for 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate is CC(=O)OC1CCC2=C1CNC2.
What is the InChIKey of 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate?
The InChIKey is QZSUVPHJERNZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(11)12-9-3-2-7-4-10-5-8(7)9/h9-10H,2-5H2,1H3.
What are the key properties of 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate?
1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate has a molecular weight of 167.21 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate is sourced from PubChem (CID 145054795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).