1,10-dihydrophenoxazin-1-ide;zinc

C12H8NOZn- — CID 175796362

IUPAC1,10-dihydrophenoxazin-1-ide;zinc
SMILES[Zn].[c-]1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C12H8NO.Zn/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h1-5,7-8,13H;/q-1;
InChIKeyAMHRZIDHOZLWII-UHFFFAOYSA-N
MW247.59 g/mol
LogP3.33
Rot. Bonds

About 1,10-dihydrophenoxazin-1-ide;zinc

1,10-dihydrophenoxazin-1-ide;zinc (PubChem CID 175796362) has the molecular formula C12H8NOZn- and a molecular weight of 247.59 g/mol. Its IUPAC name is 1,10-dihydrophenoxazin-1-ide;zinc.

Molecular Properties

Compound Name1,10-dihydrophenoxazin-1-ide;zinc
PubChem CID175796362
Molecular FormulaC12H8NOZn-
Molecular Weight247.59 g/mol
Exact Mass245.99
IUPAC Name1,10-dihydrophenoxazin-1-ide;zinc
SMILES[Zn].[c-]1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C12H8NO.Zn/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h1-5,7-8,13H;/q-1;
InChIKeyAMHRZIDHOZLWII-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.59
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

10H-phenoxazine
CID 161421901
tris(1,10-dihydrophenothiazin-1-ide);zinc
CID 175774608
1,10-dihydrophenothiazin-1-ide;iridium
CID 175152373
N,N-diphenylaniline;10H-phenoxazine
CID 174810342
magnesium;1,10-dihydrophenothiazin-1-ide;chloride
CID 88867948
10-deuteriophenoxazine
CID 138396006
10H-phenoxazine;thiophene 1,1-dioxide
CID 159670963
10H-phenoxazin-1-ylazanium
CID 163682705
2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
CID 12610237
14H-naphtho[2,3-b]phenoxazine
CID 141471429
2-propan-2-ylidene-3H-1,3-benzoxazole
CID 146214721
1-(10H-phenoxazin-2-yl)ethanethiol
CID 170632683

Frequently Asked Questions

What is the IUPAC name of 1,10-dihydrophenoxazin-1-ide;zinc?
The IUPAC name of 1,10-dihydrophenoxazin-1-ide;zinc (CID 175796362) is 1,10-dihydrophenoxazin-1-ide;zinc.
What is the SMILES notation for 1,10-dihydrophenoxazin-1-ide;zinc?
The canonical SMILES for 1,10-dihydrophenoxazin-1-ide;zinc is [Zn].[c-]1cccc2c1Nc1ccccc1O2.
What is the InChIKey of 1,10-dihydrophenoxazin-1-ide;zinc?
The InChIKey is AMHRZIDHOZLWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8NO.Zn/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;/h1-5,7-8,13H;/q-1;.
What are the key properties of 1,10-dihydrophenoxazin-1-ide;zinc?
1,10-dihydrophenoxazin-1-ide;zinc has a molecular weight of 247.59 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dihydrophenoxazin-1-ide;zinc is sourced from PubChem (CID 175796362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).