1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone

C9H13NO2 — CID 134425719

IUPAC1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone
SMILESO=C(CO)C1CC2CCCC2=N1
InChIInChI=1S/C9H13NO2/c11-5-9(12)8-4-6-2-1-3-7(6)10-8/h6,8,11H,1-5H2
InChIKeyFKWWBGGLEZUDHB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.56
Rot. Bonds2

About 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone

1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone (PubChem CID 134425719) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone
PubChem CID134425719
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone
SMILESO=C(CO)C1CC2CCCC2=N1
InChIInChI=1S/C9H13NO2/c11-5-9(12)8-4-6-2-1-3-7(6)10-8/h6,8,11H,1-5H2
InChIKeyFKWWBGGLEZUDHB-UHFFFAOYSA-N
XLogP0.56
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone?
The IUPAC name of 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone (CID 134425719) is 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone is O=C(CO)C1CC2CCCC2=N1.
What is the InChIKey of 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone?
The InChIKey is FKWWBGGLEZUDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-5-9(12)8-4-6-2-1-3-7(6)10-8/h6,8,11H,1-5H2.
What are the key properties of 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone?
1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone has a molecular weight of 167.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl)-2-hydroxyethanone is sourced from PubChem (CID 134425719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).