7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione

C10H7NO3 — CID 85439331

IUPAC7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione
SMILESC=c1c(C)ccc2c1=NC(=O)OC2=O
InChIInChI=1S/C10H7NO3/c1-5-3-4-7-8(6(5)2)11-10(13)14-9(7)12/h3-4H,2H2,1H3
InChIKeyGOTFOAXWHXTZES-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.32
Rot. Bonds

About 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione

7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione (PubChem CID 85439331) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione
PubChem CID85439331
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione
SMILESC=c1c(C)ccc2c1=NC(=O)OC2=O
InChIInChI=1S/C10H7NO3/c1-5-3-4-7-8(6(5)2)11-10(13)14-9(7)12/h3-4H,2H2,1H3
InChIKeyGOTFOAXWHXTZES-UHFFFAOYSA-N
XLogP0.32
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-8H-3,1-benzoxazine-2,4-dione
CID 71302988
6,8-difluoro-8H-3,1-benzoxazine-2,4-dione
CID 76982746
6-Methyl-8-methylidene-3,1-benzoxazine-2,4-dione
CID 71302883
8-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303010
6-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303786
1-Ethyl-8-methylidene-3,1-benzoxazin-1-ium-2,4-dione
CID 85439284
Methyl 6-methylidene-2-oxoquinoline-8-carboxylate
CID 178190247

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione?
The IUPAC name of 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione (CID 85439331) is 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione is C=c1c(C)ccc2c1=NC(=O)OC2=O.
What is the InChIKey of 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione?
The InChIKey is GOTFOAXWHXTZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-5-3-4-7-8(6(5)2)11-10(13)14-9(7)12/h3-4H,2H2,1H3.
What are the key properties of 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione?
7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione has a molecular weight of 189.17 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-methylidene-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 85439331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).