3H-phenoxazine

C12H9NO — CID 23120633

IUPAC3H-phenoxazine
SMILESC1=CC2=Nc3ccccc3OC2=CC1
InChIInChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-3,5-8H,4H2
InChIKeyMOLUAYHPIDORGD-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.00
Rot. Bonds

About 3H-phenoxazine

3H-phenoxazine (PubChem CID 23120633) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 3H-phenoxazine.

Molecular Properties

Compound Name3H-phenoxazine
PubChem CID23120633
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name3H-phenoxazine
SMILESC1=CC2=Nc3ccccc3OC2=CC1
InChIInChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-3,5-8H,4H2
InChIKeyMOLUAYHPIDORGD-UHFFFAOYSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-phenoxazine?
The IUPAC name of 3H-phenoxazine (CID 23120633) is 3H-phenoxazine.
What is the SMILES notation for 3H-phenoxazine?
The canonical SMILES for 3H-phenoxazine is C1=CC2=Nc3ccccc3OC2=CC1.
What is the InChIKey of 3H-phenoxazine?
The InChIKey is MOLUAYHPIDORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-3,5-8H,4H2.
What are the key properties of 3H-phenoxazine?
3H-phenoxazine has a molecular weight of 183.21 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-phenoxazine is sourced from PubChem (CID 23120633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).