1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone

C11H21NO3 — CID 44631708

IUPAC1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(OC(C)(C)C)CC1CO
InChIInChI=1S/C11H21NO3/c1-8(14)12-6-10(5-9(12)7-13)15-11(2,3)4/h9-10,13H,5-7H2,1-4H3
InChIKeyDMMODGBNENJHDV-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds2

About 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone

1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone (PubChem CID 44631708) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone
PubChem CID44631708
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(OC(C)(C)C)CC1CO
InChIInChI=1S/C11H21NO3/c1-8(14)12-6-10(5-9(12)7-13)15-11(2,3)4/h9-10,13H,5-7H2,1-4H3
InChIKeyDMMODGBNENJHDV-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone (CID 44631708) is 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone is CC(=O)N1CC(OC(C)(C)C)CC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone?
The InChIKey is DMMODGBNENJHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(14)12-6-10(5-9(12)7-13)15-11(2,3)4/h9-10,13H,5-7H2,1-4H3.
What are the key properties of 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone?
1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone has a molecular weight of 215.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 44631708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).