4-(4-methylmorpholin-3-yl)oxolan-2-one

C9H15NO3 — CID 11608048

IUPAC4-(4-methylmorpholin-3-yl)oxolan-2-one
SMILESCN1CCOCC1C1COC(=O)C1
InChIInChI=1S/C9H15NO3/c1-10-2-3-12-6-8(10)7-4-9(11)13-5-7/h7-8H,2-6H2,1H3
InChIKeyISGLYMJFJCJFBU-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.12
Rot. Bonds1

About 4-(4-methylmorpholin-3-yl)oxolan-2-one

4-(4-methylmorpholin-3-yl)oxolan-2-one (PubChem CID 11608048) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-(4-methylmorpholin-3-yl)oxolan-2-one.

Molecular Properties

Compound Name4-(4-methylmorpholin-3-yl)oxolan-2-one
PubChem CID11608048
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-(4-methylmorpholin-3-yl)oxolan-2-one
SMILESCN1CCOCC1C1COC(=O)C1
InChIInChI=1S/C9H15NO3/c1-10-2-3-12-6-8(10)7-4-9(11)13-5-7/h7-8H,2-6H2,1H3
InChIKeyISGLYMJFJCJFBU-UHFFFAOYSA-N
XLogP-0.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylmorpholin-3-yl)oxolan-2-one?
The IUPAC name of 4-(4-methylmorpholin-3-yl)oxolan-2-one (CID 11608048) is 4-(4-methylmorpholin-3-yl)oxolan-2-one.
What is the SMILES notation for 4-(4-methylmorpholin-3-yl)oxolan-2-one?
The canonical SMILES for 4-(4-methylmorpholin-3-yl)oxolan-2-one is CN1CCOCC1C1COC(=O)C1.
What is the InChIKey of 4-(4-methylmorpholin-3-yl)oxolan-2-one?
The InChIKey is ISGLYMJFJCJFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10-2-3-12-6-8(10)7-4-9(11)13-5-7/h7-8H,2-6H2,1H3.
What are the key properties of 4-(4-methylmorpholin-3-yl)oxolan-2-one?
4-(4-methylmorpholin-3-yl)oxolan-2-one has a molecular weight of 185.22 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylmorpholin-3-yl)oxolan-2-one is sourced from PubChem (CID 11608048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).