6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one

C13H24N2O2 — CID 117159042

IUPAC6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one
SMILESCC(C)N1CCC(CC2(C)CNC(=O)CO2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)15-5-4-11(7-15)6-13(3)9-14-12(16)8-17-13/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyOWQUCFSUHBBFDR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds3

About 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one

6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one (PubChem CID 117159042) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one
PubChem CID117159042
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one
SMILESCC(C)N1CCC(CC2(C)CNC(=O)CO2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)15-5-4-11(7-15)6-13(3)9-14-12(16)8-17-13/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyOWQUCFSUHBBFDR-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one?
The IUPAC name of 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one (CID 117159042) is 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one.
What is the SMILES notation for 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one?
The canonical SMILES for 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one is CC(C)N1CCC(CC2(C)CNC(=O)CO2)C1.
What is the InChIKey of 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one?
The InChIKey is OWQUCFSUHBBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)15-5-4-11(7-15)6-13(3)9-14-12(16)8-17-13/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one?
6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one has a molecular weight of 240.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one is sourced from PubChem (CID 117159042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).