(4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol

C8H15NO — CID 55301544

IUPAC(4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol
SMILESO[C@@H]1CC[C@H]2CNCC[C@@H]21
InChIInChI=1S/C8H15NO/c10-8-2-1-6-5-9-4-3-7(6)8/h6-10H,1-5H2/t6-,7-,8+/m0/s1
InChIKeyYQEGTKUYAVDZEX-BIIVOSGPSA-N
MW141.21 g/mol
LogP0.37
Rot. Bonds

About (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol

(4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol (PubChem CID 55301544) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol.

Molecular Properties

Compound Name(4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol
PubChem CID55301544
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol
SMILESO[C@@H]1CC[C@H]2CNCC[C@@H]21
InChIInChI=1S/C8H15NO/c10-8-2-1-6-5-9-4-3-7(6)8/h6-10H,1-5H2/t6-,7-,8+/m0/s1
InChIKeyYQEGTKUYAVDZEX-BIIVOSGPSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol?
The IUPAC name of (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol (CID 55301544) is (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol.
What is the SMILES notation for (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol?
The canonical SMILES for (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol is O[C@@H]1CC[C@H]2CNCC[C@@H]21.
What is the InChIKey of (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol?
The InChIKey is YQEGTKUYAVDZEX-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-2-1-6-5-9-4-3-7(6)8/h6-10H,1-5H2/t6-,7-,8+/m0/s1.
What are the key properties of (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol?
(4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol has a molecular weight of 141.21 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-5-ol is sourced from PubChem (CID 55301544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).