2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

C13H24N2O3 — CID 102787980

IUPAC2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCC(C)C2CO)CCO1
InChIInChI=1S/C13H24N2O3/c1-10-3-4-14(12(10)9-16)8-13(17)15-5-6-18-11(2)7-15/h10-12,16H,3-9H2,1-2H3
InChIKeyWLEGXQUYZIYYDB-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.06
Rot. Bonds3

About 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 102787980) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID102787980
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCC(C)C2CO)CCO1
InChIInChI=1S/C13H24N2O3/c1-10-3-4-14(12(10)9-16)8-13(17)15-5-6-18-11(2)7-15/h10-12,16H,3-9H2,1-2H3
InChIKeyWLEGXQUYZIYYDB-UHFFFAOYSA-N
XLogP-0.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (CID 102787980) is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CCC(C)C2CO)CCO1.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is WLEGXQUYZIYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-3-4-14(12(10)9-16)8-13(17)15-5-6-18-11(2)7-15/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 102787980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).