1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one

C12H22N2O2 — CID 104512049

IUPAC1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CC2CNCCO2)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)10-5-12(15)14(7-10)8-11-6-13-3-4-16-11/h9-11,13H,3-8H2,1-2H3
InChIKeyYTJRTZBCQXLVHM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds3

About 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one

1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104512049) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID104512049
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CC2CNCCO2)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)10-5-12(15)14(7-10)8-11-6-13-3-4-16-11/h9-11,13H,3-8H2,1-2H3
InChIKeyYTJRTZBCQXLVHM-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511611
4-(2-methylpropyl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980687
1-(2-morpholin-2-ylethyl)-4-propan-2-ylimidazolidin-2-one
CID 116980660
4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980688
1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
CID 64533654
4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione
CID 104571039
4-(1-methylpyrrolidin-3-yl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980702
4-cyclohexyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980700
2-[(3-methylazetidin-1-yl)methyl]morpholine
CID 115324331
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine
CID 103533931
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]morpholine
CID 63778262
1-methyl-3-(morpholin-2-ylmethyl)imidazol-2-one
CID 80580840

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one (CID 104512049) is 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(CC2CNCCO2)C1.
What is the InChIKey of 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is YTJRTZBCQXLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)10-5-12(15)14(7-10)8-11-6-13-3-4-16-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one?
1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104512049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).