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

C9H7NO4 — CID 140665650

IUPAC1-methoxy-3,1-benzoxazine-2,4-dione
SMILESCOn1c(=O)oc(=O)c2ccccc21
InChIInChI=1S/C9H7NO4/c1-13-10-7-5-3-2-4-6(7)8(11)14-9(10)12/h2-5H,1H3
InChIKeyYNSILEXBTMPOKE-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.01
Rot. Bonds1

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

1-methoxy-3,1-benzoxazine-2,4-dione (PubChem CID 140665650) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-methoxy-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-methoxy-3,1-benzoxazine-2,4-dione
PubChem CID140665650
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name1-methoxy-3,1-benzoxazine-2,4-dione
SMILESCOn1c(=O)oc(=O)c2ccccc21
InChIInChI=1S/C9H7NO4/c1-13-10-7-5-3-2-4-6(7)8(11)14-9(10)12/h2-5H,1H3
InChIKeyYNSILEXBTMPOKE-UHFFFAOYSA-N
XLogP0.01
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-methoxy-3,1-benzoxazine-2,4-dione (CID 140665650) is 1-methoxy-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-methoxy-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-methoxy-3,1-benzoxazine-2,4-dione is COn1c(=O)oc(=O)c2ccccc21.
What is the InChIKey of 1-methoxy-3,1-benzoxazine-2,4-dione?
The InChIKey is YNSILEXBTMPOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-10-7-5-3-2-4-6(7)8(11)14-9(10)12/h2-5H,1H3.
What are the key properties of 1-methoxy-3,1-benzoxazine-2,4-dione?
1-methoxy-3,1-benzoxazine-2,4-dione has a molecular weight of 193.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 140665650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).