9-methylphenaleno[2,1-d][1,3]oxazol-7-one

C15H9NO2 — CID 2785446

IUPAC9-methylphenaleno[2,1-d][1,3]oxazol-7-one
SMILESCc1nc2c(o1)-c1cccc3cccc(c13)C2=O
InChIInChI=1S/C15H9NO2/c1-8-16-13-14(17)10-6-2-4-9-5-3-7-11(12(9)10)15(13)18-8/h2-7H,1H3
InChIKeyZKHVZRSIOPOLKA-UHFFFAOYSA-N
MW235.24 g/mol
LogP3.35
Rot. Bonds

About 9-methylphenaleno[2,1-d][1,3]oxazol-7-one

9-methylphenaleno[2,1-d][1,3]oxazol-7-one (PubChem CID 2785446) has the molecular formula C15H9NO2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 9-methylphenaleno[2,1-d][1,3]oxazol-7-one.

Molecular Properties

Compound Name9-methylphenaleno[2,1-d][1,3]oxazol-7-one
PubChem CID2785446
Molecular FormulaC15H9NO2
Molecular Weight235.24 g/mol
Exact Mass235.06
IUPAC Name9-methylphenaleno[2,1-d][1,3]oxazol-7-one
SMILESCc1nc2c(o1)-c1cccc3cccc(c13)C2=O
InChIInChI=1S/C15H9NO2/c1-8-16-13-14(17)10-6-2-4-9-5-3-7-11(12(9)10)15(13)18-8/h2-7H,1H3
InChIKeyZKHVZRSIOPOLKA-UHFFFAOYSA-N
XLogP3.35
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methylphenaleno[2,1-d][1,3]oxazol-7-one?
The IUPAC name of 9-methylphenaleno[2,1-d][1,3]oxazol-7-one (CID 2785446) is 9-methylphenaleno[2,1-d][1,3]oxazol-7-one.
What is the SMILES notation for 9-methylphenaleno[2,1-d][1,3]oxazol-7-one?
The canonical SMILES for 9-methylphenaleno[2,1-d][1,3]oxazol-7-one is Cc1nc2c(o1)-c1cccc3cccc(c13)C2=O.
What is the InChIKey of 9-methylphenaleno[2,1-d][1,3]oxazol-7-one?
The InChIKey is ZKHVZRSIOPOLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2/c1-8-16-13-14(17)10-6-2-4-9-5-3-7-11(12(9)10)15(13)18-8/h2-7H,1H3.
What are the key properties of 9-methylphenaleno[2,1-d][1,3]oxazol-7-one?
9-methylphenaleno[2,1-d][1,3]oxazol-7-one has a molecular weight of 235.24 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylphenaleno[2,1-d][1,3]oxazol-7-one is sourced from PubChem (CID 2785446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).