3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one

C11H19NO3 — CID 58469016

IUPAC3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one
SMILESCC(C)C1CN(C2CCOC2=O)CCO1
InChIInChI=1S/C11H19NO3/c1-8(2)10-7-12(4-6-14-10)9-3-5-15-11(9)13/h8-10H,3-7H2,1-2H3
InChIKeyGKXNTLFPZZGKRY-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.66
Rot. Bonds2

About 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one

3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one (PubChem CID 58469016) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one
PubChem CID58469016
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one
SMILESCC(C)C1CN(C2CCOC2=O)CCO1
InChIInChI=1S/C11H19NO3/c1-8(2)10-7-12(4-6-14-10)9-3-5-15-11(9)13/h8-10H,3-7H2,1-2H3
InChIKeyGKXNTLFPZZGKRY-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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

Analyze 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one?
The IUPAC name of 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one (CID 58469016) is 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one.
What is the SMILES notation for 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one?
The canonical SMILES for 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one is CC(C)C1CN(C2CCOC2=O)CCO1.
What is the InChIKey of 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one?
The InChIKey is GKXNTLFPZZGKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)10-7-12(4-6-14-10)9-3-5-15-11(9)13/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one?
3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one has a molecular weight of 213.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylmorpholin-4-yl)oxolan-2-one is sourced from PubChem (CID 58469016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).