2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol

C15H27NO — CID 79564703

IUPAC2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol
SMILESOC1CCCC1CCN1CCCC2CCCC21
InChIInChI=1S/C15H27NO/c17-15-8-2-5-13(15)9-11-16-10-3-6-12-4-1-7-14(12)16/h12-15,17H,1-11H2
InChIKeyDRYYMOJRMGLMGD-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.80
Rot. Bonds3

About 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol

2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol (PubChem CID 79564703) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol
PubChem CID79564703
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol
SMILESOC1CCCC1CCN1CCCC2CCCC21
InChIInChI=1S/C15H27NO/c17-15-8-2-5-13(15)9-11-16-10-3-6-12-4-1-7-14(12)16/h12-15,17H,1-11H2
InChIKeyDRYYMOJRMGLMGD-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol (CID 79564703) is 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol is OC1CCCC1CCN1CCCC2CCCC21.
What is the InChIKey of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol?
The InChIKey is DRYYMOJRMGLMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15-8-2-5-13(15)9-11-16-10-3-6-12-4-1-7-14(12)16/h12-15,17H,1-11H2.
What are the key properties of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol?
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).