3,5a,9a,10-tetrahydro-2H-phenoxazine

C12H13NO — CID 135193048

IUPAC3,5a,9a,10-tetrahydro-2H-phenoxazine
SMILESC1=CC2NC3=CCCC=C3OC2C=C1
InChIInChI=1S/C12H13NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,3,5-9,11,13H,2,4H2
InChIKeyCFPWELBPYIDZDM-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.03
Rot. Bonds

About 3,5a,9a,10-tetrahydro-2H-phenoxazine

3,5a,9a,10-tetrahydro-2H-phenoxazine (PubChem CID 135193048) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3,5a,9a,10-tetrahydro-2H-phenoxazine.

Molecular Properties

Compound Name3,5a,9a,10-tetrahydro-2H-phenoxazine
PubChem CID135193048
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3,5a,9a,10-tetrahydro-2H-phenoxazine
SMILESC1=CC2NC3=CCCC=C3OC2C=C1
InChIInChI=1S/C12H13NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,3,5-9,11,13H,2,4H2
InChIKeyCFPWELBPYIDZDM-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5a,9a,10-tetrahydro-2H-phenoxazine?
The IUPAC name of 3,5a,9a,10-tetrahydro-2H-phenoxazine (CID 135193048) is 3,5a,9a,10-tetrahydro-2H-phenoxazine.
What is the SMILES notation for 3,5a,9a,10-tetrahydro-2H-phenoxazine?
The canonical SMILES for 3,5a,9a,10-tetrahydro-2H-phenoxazine is C1=CC2NC3=CCCC=C3OC2C=C1.
What is the InChIKey of 3,5a,9a,10-tetrahydro-2H-phenoxazine?
The InChIKey is CFPWELBPYIDZDM-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/h1,3,5-9,11,13H,2,4H2.
What are the key properties of 3,5a,9a,10-tetrahydro-2H-phenoxazine?
3,5a,9a,10-tetrahydro-2H-phenoxazine has a molecular weight of 187.24 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5a,9a,10-tetrahydro-2H-phenoxazine is sourced from PubChem (CID 135193048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).