4a,5a,9a,10-tetrahydro-4H-phenoxazine

C12H13NO — CID 122447897

IUPAC4a,5a,9a,10-tetrahydro-4H-phenoxazine
SMILESC1=CCC2OC3C=CC=CC3NC2=C1
InChIInChI=1S/C12H13NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-7,9,11-13H,8H2
InChIKeyBNKUYEWBRHULFR-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.68
Rot. Bonds

About 4a,5a,9a,10-tetrahydro-4H-phenoxazine

4a,5a,9a,10-tetrahydro-4H-phenoxazine (PubChem CID 122447897) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4a,5a,9a,10-tetrahydro-4H-phenoxazine.

Molecular Properties

Compound Name4a,5a,9a,10-tetrahydro-4H-phenoxazine
PubChem CID122447897
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4a,5a,9a,10-tetrahydro-4H-phenoxazine
SMILESC1=CCC2OC3C=CC=CC3NC2=C1
InChIInChI=1S/C12H13NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-7,9,11-13H,8H2
InChIKeyBNKUYEWBRHULFR-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5a,9a,10-tetrahydro-4H-phenoxazine?
The IUPAC name of 4a,5a,9a,10-tetrahydro-4H-phenoxazine (CID 122447897) is 4a,5a,9a,10-tetrahydro-4H-phenoxazine.
What is the SMILES notation for 4a,5a,9a,10-tetrahydro-4H-phenoxazine?
The canonical SMILES for 4a,5a,9a,10-tetrahydro-4H-phenoxazine is C1=CCC2OC3C=CC=CC3NC2=C1.
What is the InChIKey of 4a,5a,9a,10-tetrahydro-4H-phenoxazine?
The InChIKey is BNKUYEWBRHULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-7,9,11-13H,8H2.
What are the key properties of 4a,5a,9a,10-tetrahydro-4H-phenoxazine?
4a,5a,9a,10-tetrahydro-4H-phenoxazine has a molecular weight of 187.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5a,9a,10-tetrahydro-4H-phenoxazine is sourced from PubChem (CID 122447897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).