10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium

C12H13NO2 — CID 163471123

IUPAC10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium
SMILES[O-][NH+]1C2=CCCC=C2OC2C=CC=CC21
InChIInChI=1S/C12H13NO2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5-9,11,13H,2,4H2
InChIKeyBWPSRZKACOBGEA-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.82
Rot. Bonds

About 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium

10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium (PubChem CID 163471123) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium.

Molecular Properties

Compound Name10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium
PubChem CID163471123
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium
SMILES[O-][NH+]1C2=CCCC=C2OC2C=CC=CC21
InChIInChI=1S/C12H13NO2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5-9,11,13H,2,4H2
InChIKeyBWPSRZKACOBGEA-UHFFFAOYSA-N
XLogP0.82
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium?
The IUPAC name of 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium (CID 163471123) is 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium.
What is the SMILES notation for 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium?
The canonical SMILES for 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium is [O-][NH+]1C2=CCCC=C2OC2C=CC=CC21.
What is the InChIKey of 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium?
The InChIKey is BWPSRZKACOBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5-9,11,13H,2,4H2.
What are the key properties of 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium?
10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium has a molecular weight of 203.24 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxido-3,5a,9a,10-tetrahydro-2H-phenoxazin-10-ium is sourced from PubChem (CID 163471123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).