2,2-dimethoxy-1-morpholin-4-ylethanone

C8H15NO4 — CID 21298597

IUPAC2,2-dimethoxy-1-morpholin-4-ylethanone
SMILESCOC(OC)C(=O)N1CCOCC1
InChIInChI=1S/C8H15NO4/c1-11-8(12-2)7(10)9-3-5-13-6-4-9/h8H,3-6H2,1-2H3
InChIKeyIQUCCHWYXUKHEP-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.54
Rot. Bonds3

About 2,2-dimethoxy-1-morpholin-4-ylethanone

2,2-dimethoxy-1-morpholin-4-ylethanone (PubChem CID 21298597) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,2-dimethoxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2,2-dimethoxy-1-morpholin-4-ylethanone
PubChem CID21298597
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2,2-dimethoxy-1-morpholin-4-ylethanone
SMILESCOC(OC)C(=O)N1CCOCC1
InChIInChI=1S/C8H15NO4/c1-11-8(12-2)7(10)9-3-5-13-6-4-9/h8H,3-6H2,1-2H3
InChIKeyIQUCCHWYXUKHEP-UHFFFAOYSA-N
XLogP-0.54
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-morpholin-4-ylethanone?
The IUPAC name of 2,2-dimethoxy-1-morpholin-4-ylethanone (CID 21298597) is 2,2-dimethoxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2,2-dimethoxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2,2-dimethoxy-1-morpholin-4-ylethanone is COC(OC)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-dimethoxy-1-morpholin-4-ylethanone?
The InChIKey is IQUCCHWYXUKHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-11-8(12-2)7(10)9-3-5-13-6-4-9/h8H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethoxy-1-morpholin-4-ylethanone?
2,2-dimethoxy-1-morpholin-4-ylethanone has a molecular weight of 189.21 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 21298597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).