(1-acetyloxy-2-morpholin-4-ylethyl) acetate

C10H17NO5 — CID 67265675

IUPAC(1-acetyloxy-2-morpholin-4-ylethyl) acetate
SMILESCC(=O)OC(CN1CCOCC1)OC(C)=O
InChIInChI=1S/C10H17NO5/c1-8(12)15-10(16-9(2)13)7-11-3-5-14-6-4-11/h10H,3-7H2,1-2H3
InChIKeyVNXXHVOZIOKXOJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds4

About (1-acetyloxy-2-morpholin-4-ylethyl) acetate

(1-acetyloxy-2-morpholin-4-ylethyl) acetate (PubChem CID 67265675) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (1-acetyloxy-2-morpholin-4-ylethyl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-2-morpholin-4-ylethyl) acetate
PubChem CID67265675
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(1-acetyloxy-2-morpholin-4-ylethyl) acetate
SMILESCC(=O)OC(CN1CCOCC1)OC(C)=O
InChIInChI=1S/C10H17NO5/c1-8(12)15-10(16-9(2)13)7-11-3-5-14-6-4-11/h10H,3-7H2,1-2H3
InChIKeyVNXXHVOZIOKXOJ-UHFFFAOYSA-N
XLogP-0.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1-acetyloxy-2-morpholin-4-ylethyl) acetate 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 (1-acetyloxy-2-morpholin-4-ylethyl) acetate?
The IUPAC name of (1-acetyloxy-2-morpholin-4-ylethyl) acetate (CID 67265675) is (1-acetyloxy-2-morpholin-4-ylethyl) acetate.
What is the SMILES notation for (1-acetyloxy-2-morpholin-4-ylethyl) acetate?
The canonical SMILES for (1-acetyloxy-2-morpholin-4-ylethyl) acetate is CC(=O)OC(CN1CCOCC1)OC(C)=O.
What is the InChIKey of (1-acetyloxy-2-morpholin-4-ylethyl) acetate?
The InChIKey is VNXXHVOZIOKXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-8(12)15-10(16-9(2)13)7-11-3-5-14-6-4-11/h10H,3-7H2,1-2H3.
What are the key properties of (1-acetyloxy-2-morpholin-4-ylethyl) acetate?
(1-acetyloxy-2-morpholin-4-ylethyl) acetate has a molecular weight of 231.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2-morpholin-4-ylethyl) acetate is sourced from PubChem (CID 67265675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).