1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol

C8H15NO — CID 14690413

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol
SMILESOCC1CC2CCCC2N1
InChIInChI=1S/C8H15NO/c10-5-7-4-6-2-1-3-8(6)9-7/h6-10H,1-5H2
InChIKeyXXKIUXSAULZREZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds1

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol (PubChem CID 14690413) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol
PubChem CID14690413
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol
SMILESOCC1CC2CCCC2N1
InChIInChI=1S/C8H15NO/c10-5-7-4-6-2-1-3-8(6)9-7/h6-10H,1-5H2
InChIKeyXXKIUXSAULZREZ-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol (CID 14690413) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol is OCC1CC2CCCC2N1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol?
The InChIKey is XXKIUXSAULZREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-5-7-4-6-2-1-3-8(6)9-7/h6-10H,1-5H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol has a molecular weight of 141.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-ylmethanol is sourced from PubChem (CID 14690413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).