2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one

C11H20N2O2 — CID 54202386

IUPAC2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)C1COCCN1
InChIInChI=1S/C11H20N2O2/c1-9(10-8-15-7-4-12-10)11(14)13-5-2-3-6-13/h9-10,12H,2-8H2,1H3
InChIKeyQHQVFVKWNICUNK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds2

About 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one

2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 54202386) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID54202386
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)C1COCCN1
InChIInChI=1S/C11H20N2O2/c1-9(10-8-15-7-4-12-10)11(14)13-5-2-3-6-13/h9-10,12H,2-8H2,1H3
InChIKeyQHQVFVKWNICUNK-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one (CID 54202386) is 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)C1COCCN1.
What is the InChIKey of 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QHQVFVKWNICUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(10-8-15-7-4-12-10)11(14)13-5-2-3-6-13/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one?
2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-yl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 54202386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).