5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one

C11H19NO3 — CID 13067712

IUPAC5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one
SMILESCC1CC(CCN2CCOCC2)C(=O)O1
InChIInChI=1S/C11H19NO3/c1-9-8-10(11(13)15-9)2-3-12-4-6-14-7-5-12/h9-10H,2-8H2,1H3
InChIKeyVMQAMQVBAORMMF-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.66
Rot. Bonds3

About 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one

5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one (PubChem CID 13067712) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one
PubChem CID13067712
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one
SMILESCC1CC(CCN2CCOCC2)C(=O)O1
InChIInChI=1S/C11H19NO3/c1-9-8-10(11(13)15-9)2-3-12-4-6-14-7-5-12/h9-10H,2-8H2,1H3
InChIKeyVMQAMQVBAORMMF-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one?
The IUPAC name of 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one (CID 13067712) is 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one.
What is the SMILES notation for 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one?
The canonical SMILES for 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one is CC1CC(CCN2CCOCC2)C(=O)O1.
What is the InChIKey of 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one?
The InChIKey is VMQAMQVBAORMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-8-10(11(13)15-9)2-3-12-4-6-14-7-5-12/h9-10H,2-8H2,1H3.
What are the key properties of 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one?
5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one has a molecular weight of 213.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one is sourced from PubChem (CID 13067712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).