6-methylpyrano[3,2-g][1,3]benzoxazol-8-one

C11H7NO3 — CID 134911765

IUPAC6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESCc1cc(=O)oc2c1ccc1ncoc12
InChIInChI=1S/C11H7NO3/c1-6-4-9(13)15-10-7(6)2-3-8-11(10)14-5-12-8/h2-5H,1H3
InChIKeyNVBAMYUVBCUSNU-UHFFFAOYSA-N
MW201.18 g/mol
LogP2.24
Rot. Bonds

About 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one

6-methylpyrano[3,2-g][1,3]benzoxazol-8-one (PubChem CID 134911765) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one.

Molecular Properties

Compound Name6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
PubChem CID134911765
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESCc1cc(=O)oc2c1ccc1ncoc12
InChIInChI=1S/C11H7NO3/c1-6-4-9(13)15-10-7(6)2-3-8-11(10)14-5-12-8/h2-5H,1H3
InChIKeyNVBAMYUVBCUSNU-UHFFFAOYSA-N
XLogP2.24
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The IUPAC name of 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one (CID 134911765) is 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one.
What is the SMILES notation for 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The canonical SMILES for 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one is Cc1cc(=O)oc2c1ccc1ncoc12.
What is the InChIKey of 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The InChIKey is NVBAMYUVBCUSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c1-6-4-9(13)15-10-7(6)2-3-8-11(10)14-5-12-8/h2-5H,1H3.
What are the key properties of 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
6-methylpyrano[3,2-g][1,3]benzoxazol-8-one has a molecular weight of 201.18 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrano[3,2-g][1,3]benzoxazol-8-one is sourced from PubChem (CID 134911765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).