2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol

C13H25NO — CID 114339021

IUPAC2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESCCC(C)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H25NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h10-13,15H,3-9H2,1-2H3
InChIKeyPGDCSRFHPHSELS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds3

About 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol

2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol (PubChem CID 114339021) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
PubChem CID114339021
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESCCC(C)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H25NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h10-13,15H,3-9H2,1-2H3
InChIKeyPGDCSRFHPHSELS-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol (CID 114339021) is 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol is CCC(C)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol?
The InChIKey is PGDCSRFHPHSELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol?
2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrrolidin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 114339021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).