2,2-dimethylphenanthro[9,10-b][1,4]oxazine

C18H15NO — CID 14970328

IUPAC2,2-dimethylphenanthro[9,10-b][1,4]oxazine
SMILESCC1(C)C=Nc2c(c3ccccc3c3ccccc23)O1
InChIInChI=1S/C18H15NO/c1-18(2)11-19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17(16)20-18/h3-11H,1-2H3
InChIKeyGYZCKKMAHILROI-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.87
Rot. Bonds

About 2,2-dimethylphenanthro[9,10-b][1,4]oxazine

2,2-dimethylphenanthro[9,10-b][1,4]oxazine (PubChem CID 14970328) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,2-dimethylphenanthro[9,10-b][1,4]oxazine.

Molecular Properties

Compound Name2,2-dimethylphenanthro[9,10-b][1,4]oxazine
PubChem CID14970328
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2,2-dimethylphenanthro[9,10-b][1,4]oxazine
SMILESCC1(C)C=Nc2c(c3ccccc3c3ccccc23)O1
InChIInChI=1S/C18H15NO/c1-18(2)11-19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17(16)20-18/h3-11H,1-2H3
InChIKeyGYZCKKMAHILROI-UHFFFAOYSA-N
XLogP4.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylphenanthro[9,10-b][1,4]oxazine?
The IUPAC name of 2,2-dimethylphenanthro[9,10-b][1,4]oxazine (CID 14970328) is 2,2-dimethylphenanthro[9,10-b][1,4]oxazine.
What is the SMILES notation for 2,2-dimethylphenanthro[9,10-b][1,4]oxazine?
The canonical SMILES for 2,2-dimethylphenanthro[9,10-b][1,4]oxazine is CC1(C)C=Nc2c(c3ccccc3c3ccccc23)O1.
What is the InChIKey of 2,2-dimethylphenanthro[9,10-b][1,4]oxazine?
The InChIKey is GYZCKKMAHILROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-18(2)11-19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17(16)20-18/h3-11H,1-2H3.
What are the key properties of 2,2-dimethylphenanthro[9,10-b][1,4]oxazine?
2,2-dimethylphenanthro[9,10-b][1,4]oxazine has a molecular weight of 261.32 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylphenanthro[9,10-b][1,4]oxazine is sourced from PubChem (CID 14970328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).