3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol

C13H19NO — CID 115373727

IUPAC3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol
SMILESCCC1CCC(O)(c2cncc(C)c2)C1
InChIInChI=1S/C13H19NO/c1-3-11-4-5-13(15,7-11)12-6-10(2)8-14-9-12/h6,8-9,11,15H,3-5,7H2,1-2H3
InChIKeyFPIJTPIQHMPTJV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.79
Rot. Bonds2

About 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol

3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol (PubChem CID 115373727) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol
PubChem CID115373727
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol
SMILESCCC1CCC(O)(c2cncc(C)c2)C1
InChIInChI=1S/C13H19NO/c1-3-11-4-5-13(15,7-11)12-6-10(2)8-14-9-12/h6,8-9,11,15H,3-5,7H2,1-2H3
InChIKeyFPIJTPIQHMPTJV-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol?
The IUPAC name of 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol (CID 115373727) is 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol?
The canonical SMILES for 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol is CCC1CCC(O)(c2cncc(C)c2)C1.
What is the InChIKey of 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol?
The InChIKey is FPIJTPIQHMPTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11-4-5-13(15,7-11)12-6-10(2)8-14-9-12/h6,8-9,11,15H,3-5,7H2,1-2H3.
What are the key properties of 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol?
3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol is sourced from PubChem (CID 115373727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).