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

C9H7NO3 — CID 2759870

IUPAC8-methyl-1H-3,1-benzoxazine-2,4-dione
SMILESCc1cccc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H7NO3/c1-5-3-2-4-6-7(5)10-9(12)13-8(6)11/h2-4H,1H3,(H,10,12)
InChIKeyCHKUQVBJPDLANA-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.79
Rot. Bonds

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

8-methyl-1H-3,1-benzoxazine-2,4-dione (PubChem CID 2759870) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 8-methyl-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-methyl-1H-3,1-benzoxazine-2,4-dione
PubChem CID2759870
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name8-methyl-1H-3,1-benzoxazine-2,4-dione
SMILESCc1cccc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H7NO3/c1-5-3-2-4-6-7(5)10-9(12)13-8(6)11/h2-4H,1H3,(H,10,12)
InChIKeyCHKUQVBJPDLANA-UHFFFAOYSA-N
XLogP0.79
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-methyl-1H-3,1-benzoxazine-2,4-dione (CID 2759870) is 8-methyl-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-methyl-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-methyl-1H-3,1-benzoxazine-2,4-dione is Cc1cccc2c(=O)oc(=O)[nH]c12.
What is the InChIKey of 8-methyl-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is CHKUQVBJPDLANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-5-3-2-4-6-7(5)10-9(12)13-8(6)11/h2-4H,1H3,(H,10,12).
What are the key properties of 8-methyl-1H-3,1-benzoxazine-2,4-dione?
8-methyl-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 177.16 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 2759870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).