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

C8H15NO — CID 25067678

IUPAC(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol
SMILESO[C@H]1CCN[C@H]2CCC[C@H]21
InChIInChI=1S/C8H15NO/c10-8-4-5-9-7-3-1-2-6(7)8/h6-10H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyQBJPYDROHNVNAT-CSMHCCOUSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds

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

(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol (PubChem CID 25067678) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol.

Molecular Properties

Compound Name(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol
PubChem CID25067678
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol
SMILESO[C@H]1CCN[C@H]2CCC[C@H]21
InChIInChI=1S/C8H15NO/c10-8-4-5-9-7-3-1-2-6(7)8/h6-10H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyQBJPYDROHNVNAT-CSMHCCOUSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol with MolForge

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Related Compounds

(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 22820323
trans-(1R,2R)-2-[(2R)-pyrrolidin-2-yl]cyclohexan-1-ol
CID 124709746
2-pyrrolidin-2-ylcyclooctan-1-ol
CID 79560078
2-piperidin-2-ylcyclododecan-1-ol
CID 79560081
(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
CID 178195066
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
CID 83913910
2-azabicyclo[4.1.0]heptan-5-ol;hydrochloride
CID 155894479
trans-(1R,2S)-2-[(3S)-morpholin-3-yl]cyclopentan-1-ol
CID 124709951
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid
CID 129413164
(1S,5R)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
CID 155891448
4-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 171521770
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 524017

Frequently Asked Questions

What is the IUPAC name of (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol?
The IUPAC name of (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol (CID 25067678) is (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol.
What is the SMILES notation for (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol?
The canonical SMILES for (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol is O[C@H]1CCN[C@H]2CCC[C@H]21.
What is the InChIKey of (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol?
The InChIKey is QBJPYDROHNVNAT-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-4-5-9-7-3-1-2-6(7)8/h6-10H,1-5H2/t6-,7+,8+/m1/s1.
What are the key properties of (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol?
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol is sourced from PubChem (CID 25067678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).