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

C12H13NO — CID 153089951

IUPAC5a,9a,10,10a-tetrahydro-4aH-phenoxazine
SMILESC1=CC2NC3C=CC=CC3OC2C=C1
InChIInChI=1S/C12H13NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-13H
InChIKeyVOYSKYHKCYRPMJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.33
Rot. Bonds

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

5a,9a,10,10a-tetrahydro-4aH-phenoxazine (PubChem CID 153089951) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5a,9a,10,10a-tetrahydro-4aH-phenoxazine.

Molecular Properties

Compound Name5a,9a,10,10a-tetrahydro-4aH-phenoxazine
PubChem CID153089951
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5a,9a,10,10a-tetrahydro-4aH-phenoxazine
SMILESC1=CC2NC3C=CC=CC3OC2C=C1
InChIInChI=1S/C12H13NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-13H
InChIKeyVOYSKYHKCYRPMJ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5a,9a,10,10a-tetrahydro-4aH-phenoxazine?
The IUPAC name of 5a,9a,10,10a-tetrahydro-4aH-phenoxazine (CID 153089951) is 5a,9a,10,10a-tetrahydro-4aH-phenoxazine.
What is the SMILES notation for 5a,9a,10,10a-tetrahydro-4aH-phenoxazine?
The canonical SMILES for 5a,9a,10,10a-tetrahydro-4aH-phenoxazine is C1=CC2NC3C=CC=CC3OC2C=C1.
What is the InChIKey of 5a,9a,10,10a-tetrahydro-4aH-phenoxazine?
The InChIKey is VOYSKYHKCYRPMJ-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/h1-13H.
What are the key properties of 5a,9a,10,10a-tetrahydro-4aH-phenoxazine?
5a,9a,10,10a-tetrahydro-4aH-phenoxazine has a molecular weight of 187.24 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,9a,10,10a-tetrahydro-4aH-phenoxazine is sourced from PubChem (CID 153089951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).