4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

C18H33NO2 — CID 79914721

IUPAC4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)C(CN2CCCC2C2CCCC2)C1O
InChIInChI=1S/C18H33NO2/c1-17(2)14(16(20)18(3,4)21-17)12-19-11-7-10-15(19)13-8-5-6-9-13/h13-16,20H,5-12H2,1-4H3
InChIKeyAQQJVIVHGBQRLQ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.21
Rot. Bonds3

About 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79914721) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79914721
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)C(CN2CCCC2C2CCCC2)C1O
InChIInChI=1S/C18H33NO2/c1-17(2)14(16(20)18(3,4)21-17)12-19-11-7-10-15(19)13-8-5-6-9-13/h13-16,20H,5-12H2,1-4H3
InChIKeyAQQJVIVHGBQRLQ-UHFFFAOYSA-N
XLogP3.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79914721) is 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)OC(C)(C)C(CN2CCCC2C2CCCC2)C1O.
What is the InChIKey of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is AQQJVIVHGBQRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-17(2)14(16(20)18(3,4)21-17)12-19-11-7-10-15(19)13-8-5-6-9-13/h13-16,20H,5-12H2,1-4H3.
What are the key properties of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 295.47 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79914721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).