ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate

C11H15NO4 — CID 59600157

IUPACethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
SMILESCCOC(=O)C1=C2COCC(=O)N2CCC1
InChIInChI=1S/C11H15NO4/c1-2-16-11(14)8-4-3-5-12-9(8)6-15-7-10(12)13/h2-7H2,1H3
InChIKeyOMMJKNIFLFGBPF-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.46
Rot. Bonds2

About ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate

ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate (PubChem CID 59600157) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
PubChem CID59600157
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
SMILESCCOC(=O)C1=C2COCC(=O)N2CCC1
InChIInChI=1S/C11H15NO4/c1-2-16-11(14)8-4-3-5-12-9(8)6-15-7-10(12)13/h2-7H2,1H3
InChIKeyOMMJKNIFLFGBPF-UHFFFAOYSA-N
XLogP0.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate?
The IUPAC name of ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate (CID 59600157) is ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate?
The canonical SMILES for ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate is CCOC(=O)C1=C2COCC(=O)N2CCC1.
What is the InChIKey of ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate?
The InChIKey is OMMJKNIFLFGBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-16-11(14)8-4-3-5-12-9(8)6-15-7-10(12)13/h2-7H2,1H3.
What are the key properties of ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate?
ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate is sourced from PubChem (CID 59600157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).