4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one

C13H24N2O3 — CID 79193090

IUPAC4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
SMILESCC(O)CCC(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-11(16)2-3-13(17)15-5-4-12(10-15)14-6-8-18-9-7-14/h11-12,16H,2-10H2,1H3
InChIKeyNILSUBRTXSUDTN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.08
Rot. Bonds4

About 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one

4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 79193090) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID79193090
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
SMILESCC(O)CCC(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-11(16)2-3-13(17)15-5-4-12(10-15)14-6-8-18-9-7-14/h11-12,16H,2-10H2,1H3
InChIKeyNILSUBRTXSUDTN-UHFFFAOYSA-N
XLogP0.08
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 79192941
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
2-(cyclopropylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63172093
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 63172005
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 63171130
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
CID 63516487
(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
CID 135200089

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one (CID 79193090) is 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one is CC(O)CCC(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is NILSUBRTXSUDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(16)2-3-13(17)15-5-4-12(10-15)14-6-8-18-9-7-14/h11-12,16H,2-10H2,1H3.
What are the key properties of 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one?
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 256.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 79193090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).