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

C12H22N2O3 — CID 62015912

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCCC2CO)CCO1
InChIInChI=1S/C12H22N2O3/c1-10-7-14(5-6-17-10)12(16)8-13-4-2-3-11(13)9-15/h10-11,15H,2-9H2,1H3
InChIKeyULPVHYWMRSVGBN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.31
Rot. Bonds3

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

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 62015912) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID62015912
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCCC2CO)CCO1
InChIInChI=1S/C12H22N2O3/c1-10-7-14(5-6-17-10)12(16)8-13-4-2-3-11(13)9-15/h10-11,15H,2-9H2,1H3
InChIKeyULPVHYWMRSVGBN-UHFFFAOYSA-N
XLogP-0.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 98689719
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
1-(2-methylmorpholin-4-yl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56801200
2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 111753132
1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
CID 55209746
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62062880
1-(2-methylmorpholin-4-yl)-2-piperidin-4-yloxyethanone
CID 63877566
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94249392
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103576869

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (CID 62015912) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CCCC2CO)CCO1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is ULPVHYWMRSVGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-7-14(5-6-17-10)12(16)8-13-4-2-3-11(13)9-15/h10-11,15H,2-9H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 62015912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).