2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one

C16H29NO2 — CID 79929131

IUPAC2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one
SMILESCC(C)C1CCCN1CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H29NO2/c1-11(2)13-8-7-9-17(13)10-12-14(18)16(5,6)19-15(12,3)4/h11-13H,7-10H2,1-6H3
InChIKeyGNZZMUMCYSEOAU-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.88
Rot. Bonds3

About 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one (PubChem CID 79929131) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one
PubChem CID79929131
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one
SMILESCC(C)C1CCCN1CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H29NO2/c1-11(2)13-8-7-9-17(13)10-12-14(18)16(5,6)19-15(12,3)4/h11-13H,7-10H2,1-6H3
InChIKeyGNZZMUMCYSEOAU-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one (CID 79929131) is 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one is CC(C)C1CCCN1CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one?
The InChIKey is GNZZMUMCYSEOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)13-8-7-9-17(13)10-12-14(18)16(5,6)19-15(12,3)4/h11-13H,7-10H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one has a molecular weight of 267.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]oxolan-3-one is sourced from PubChem (CID 79929131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).