2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone

C13H20N2O3 — CID 79105732

IUPAC2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESCCC(O)c1ccn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H20N2O3/c1-2-12(16)11-3-4-14(9-11)10-13(17)15-5-7-18-8-6-15/h3-4,9,12,16H,2,5-8,10H2,1H3
InChIKeyAXOGORXEIQPFFZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.79
Rot. Bonds4

About 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone

2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 79105732) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
PubChem CID79105732
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESCCC(O)c1ccn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H20N2O3/c1-2-12(16)11-3-4-14(9-11)10-13(17)15-5-7-18-8-6-15/h3-4,9,12,16H,2,5-8,10H2,1H3
InChIKeyAXOGORXEIQPFFZ-UHFFFAOYSA-N
XLogP0.79
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]ethanone
CID 79105113
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
CID 79109647
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 66403976
1-(azepan-1-yl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]ethanone
CID 79105496
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
CID 79110104
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 78934055
1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone
CID 97223531
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone (CID 79105732) is 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone is CCC(O)c1ccn(CC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is AXOGORXEIQPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-12(16)11-3-4-14(9-11)10-13(17)15-5-7-18-8-6-15/h3-4,9,12,16H,2,5-8,10H2,1H3.
What are the key properties of 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone?
2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 252.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 79105732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).