2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide

C15H28N2O3 — CID 91650229

IUPAC2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCCC2(C)CO)C(C)(C)O1
InChIInChI=1S/C15H28N2O3/c1-13(2)9-11(14(3,4)20-13)16-12(19)17-8-6-7-15(17,5)10-18/h11,18H,6-10H2,1-5H3,(H,16,19)
InChIKeyJAGYXXUTVDAKMX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.89
Rot. Bonds2

About 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide

2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide (PubChem CID 91650229) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide
PubChem CID91650229
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCCC2(C)CO)C(C)(C)O1
InChIInChI=1S/C15H28N2O3/c1-13(2)9-11(14(3,4)20-13)16-12(19)17-8-6-7-15(17,5)10-18/h11,18H,6-10H2,1-5H3,(H,16,19)
InChIKeyJAGYXXUTVDAKMX-UHFFFAOYSA-N
XLogP1.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide (CID 91650229) is 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide is CC1(C)CC(NC(=O)N2CCCC2(C)CO)C(C)(C)O1.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is JAGYXXUTVDAKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(2)9-11(14(3,4)20-13)16-12(19)17-8-6-7-15(17,5)10-18/h11,18H,6-10H2,1-5H3,(H,16,19).
What are the key properties of 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91650229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).