2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine

C12H21NO — CID 23086456

IUPAC2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine
SMILESC1CCC2OC3CCCCC3NC2C1
InChIInChI=1S/C12H21NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h9-13H,1-8H2
InChIKeyFZAPDYSQLCFDBR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds

About 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine

2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine (PubChem CID 23086456) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine.

Molecular Properties

Compound Name2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine
PubChem CID23086456
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine
SMILESC1CCC2OC3CCCCC3NC2C1
InChIInChI=1S/C12H21NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h9-13H,1-8H2
InChIKeyFZAPDYSQLCFDBR-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine?
The IUPAC name of 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine (CID 23086456) is 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine.
What is the SMILES notation for 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine?
The canonical SMILES for 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine is C1CCC2OC3CCCCC3NC2C1.
What is the InChIKey of 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine?
The InChIKey is FZAPDYSQLCFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h9-13H,1-8H2.
What are the key properties of 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine?
2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine has a molecular weight of 195.31 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenoxazine is sourced from PubChem (CID 23086456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).