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

C9H7NO4 — CID 10559679

IUPAC8-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1cccc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)10-9(12)14-8(5)11/h2-4H,1H3,(H,10,12)
InChIKeyZPTOZGCACQWXJX-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.49
Rot. Bonds1

About 8-methoxy-1H-3,1-benzoxazine-2,4-dione

8-methoxy-1H-3,1-benzoxazine-2,4-dione (PubChem CID 10559679) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 8-methoxy-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-methoxy-1H-3,1-benzoxazine-2,4-dione
PubChem CID10559679
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name8-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1cccc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)10-9(12)14-8(5)11/h2-4H,1H3,(H,10,12)
InChIKeyZPTOZGCACQWXJX-UHFFFAOYSA-N
XLogP0.49
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-methoxy-1H-3,1-benzoxazine-2,4-dione (CID 10559679) is 8-methoxy-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-methoxy-1H-3,1-benzoxazine-2,4-dione is COc1cccc2c(=O)oc(=O)[nH]c12.
What is the InChIKey of 8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is ZPTOZGCACQWXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)10-9(12)14-8(5)11/h2-4H,1H3,(H,10,12).
What are the key properties of 8-methoxy-1H-3,1-benzoxazine-2,4-dione?
8-methoxy-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 193.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 10559679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).