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

C18H31NO2 — CID 79912458

IUPAC4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCCC2C2CCCC2)C1=O
InChIInChI=1S/C18H31NO2/c1-17(2)14(16(20)18(3,4)21-17)12-19-11-7-10-15(19)13-8-5-6-9-13/h13-15H,5-12H2,1-4H3
InChIKeyRBJOYBFPTBMDNL-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.41
Rot. Bonds3

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

4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79912458) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79912458
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCCC2C2CCCC2)C1=O
InChIInChI=1S/C18H31NO2/c1-17(2)14(16(20)18(3,4)21-17)12-19-11-7-10-15(19)13-8-5-6-9-13/h13-15H,5-12H2,1-4H3
InChIKeyRBJOYBFPTBMDNL-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-one?
The IUPAC name of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79912458) is 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN2CCCC2C2CCCC2)C1=O.
What is the InChIKey of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is RBJOYBFPTBMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-17(2)14(16(20)18(3,4)21-17)12-19-11-7-10-15(19)13-8-5-6-9-13/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 293.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 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-one is sourced from PubChem (CID 79912458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).