1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione

C11H11NO4 — CID 141490009

IUPAC1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
SMILESCCn1c(=O)oc(=O)c2c(OC)cccc21
InChIInChI=1S/C11H11NO4/c1-3-12-7-5-4-6-8(15-2)9(7)10(13)16-11(12)14/h4-6H,3H2,1-2H3
InChIKeyCOZMOULEKBJEMT-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.98
Rot. Bonds2

About 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione

1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione (PubChem CID 141490009) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
PubChem CID141490009
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
SMILESCCn1c(=O)oc(=O)c2c(OC)cccc21
InChIInChI=1S/C11H11NO4/c1-3-12-7-5-4-6-8(15-2)9(7)10(13)16-11(12)14/h4-6H,3H2,1-2H3
InChIKeyCOZMOULEKBJEMT-UHFFFAOYSA-N
XLogP0.98
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione (CID 141490009) is 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione is CCn1c(=O)oc(=O)c2c(OC)cccc21.
What is the InChIKey of 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione?
The InChIKey is COZMOULEKBJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-3-12-7-5-4-6-8(15-2)9(7)10(13)16-11(12)14/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione?
1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione has a molecular weight of 221.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 141490009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).