3-(1-morpholin-4-ylethyl)oxolan-2-one

C10H17NO3 — CID 13129484

IUPAC3-(1-morpholin-4-ylethyl)oxolan-2-one
SMILESCC(C1CCOC1=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-8(9-2-5-14-10(9)12)11-3-6-13-7-4-11/h8-9H,2-7H2,1H3
InChIKeyKQCZEZGWEMLQIB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.27
Rot. Bonds2

About 3-(1-morpholin-4-ylethyl)oxolan-2-one

3-(1-morpholin-4-ylethyl)oxolan-2-one (PubChem CID 13129484) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(1-morpholin-4-ylethyl)oxolan-2-one.

Molecular Properties

Compound Name3-(1-morpholin-4-ylethyl)oxolan-2-one
PubChem CID13129484
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(1-morpholin-4-ylethyl)oxolan-2-one
SMILESCC(C1CCOC1=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-8(9-2-5-14-10(9)12)11-3-6-13-7-4-11/h8-9H,2-7H2,1H3
InChIKeyKQCZEZGWEMLQIB-UHFFFAOYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-morpholin-4-ylethyl)oxolan-2-one?
The IUPAC name of 3-(1-morpholin-4-ylethyl)oxolan-2-one (CID 13129484) is 3-(1-morpholin-4-ylethyl)oxolan-2-one.
What is the SMILES notation for 3-(1-morpholin-4-ylethyl)oxolan-2-one?
The canonical SMILES for 3-(1-morpholin-4-ylethyl)oxolan-2-one is CC(C1CCOC1=O)N1CCOCC1.
What is the InChIKey of 3-(1-morpholin-4-ylethyl)oxolan-2-one?
The InChIKey is KQCZEZGWEMLQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(9-2-5-14-10(9)12)11-3-6-13-7-4-11/h8-9H,2-7H2,1H3.
What are the key properties of 3-(1-morpholin-4-ylethyl)oxolan-2-one?
3-(1-morpholin-4-ylethyl)oxolan-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-morpholin-4-ylethyl)oxolan-2-one is sourced from PubChem (CID 13129484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).