2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate

C9H15NO4 — CID 154708596

IUPAC2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate
SMILESCC(=O)OCCOCC1=NOCCC1
InChIInChI=1S/C9H15NO4/c1-8(11)13-6-5-12-7-9-3-2-4-14-10-9/h2-7H2,1H3
InChIKeyRDFLNBIGDQXNFM-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.73
Rot. Bonds5

About 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate

2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate (PubChem CID 154708596) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate
PubChem CID154708596
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate
SMILESCC(=O)OCCOCC1=NOCCC1
InChIInChI=1S/C9H15NO4/c1-8(11)13-6-5-12-7-9-3-2-4-14-10-9/h2-7H2,1H3
InChIKeyRDFLNBIGDQXNFM-UHFFFAOYSA-N
XLogP0.73
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate?
The IUPAC name of 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate (CID 154708596) is 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate.
What is the SMILES notation for 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate?
The canonical SMILES for 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate is CC(=O)OCCOCC1=NOCCC1.
What is the InChIKey of 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate?
The InChIKey is RDFLNBIGDQXNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-8(11)13-6-5-12-7-9-3-2-4-14-10-9/h2-7H2,1H3.
What are the key properties of 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate?
2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate has a molecular weight of 201.22 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-oxazin-3-ylmethoxy)ethyl acetate is sourced from PubChem (CID 154708596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).