phenoxazin-1-imine

C12H8N2O — CID 86103991

IUPACphenoxazin-1-imine
SMILES[H]/N=c1\cccc2oc3ccccc3nc1-2
InChIInChI=1S/C12H8N2O/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,13H/b13-8+
InChIKeyBPRNHQPYFHCUMP-MDWZMJQESA-N
MW196.21 g/mol
LogP2.41
Rot. Bonds

About phenoxazin-1-imine

phenoxazin-1-imine (PubChem CID 86103991) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is phenoxazin-1-imine.

Molecular Properties

Compound Namephenoxazin-1-imine
PubChem CID86103991
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Namephenoxazin-1-imine
SMILES[H]/N=c1\cccc2oc3ccccc3nc1-2
InChIInChI=1S/C12H8N2O/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,13H/b13-8+
InChIKeyBPRNHQPYFHCUMP-MDWZMJQESA-N
XLogP2.41
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-1,4-benzoxazin-2-one
CID 164680158
2-phenylchromen-4-imine
CID 7728986
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
1-nitrophenoxazin-3-one
CID 56623997
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
N-(3-oxophenoxazin-1-yl)acetamide
CID 90793030
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168

Frequently Asked Questions

What is the IUPAC name of phenoxazin-1-imine?
The IUPAC name of phenoxazin-1-imine (CID 86103991) is phenoxazin-1-imine.
What is the SMILES notation for phenoxazin-1-imine?
The canonical SMILES for phenoxazin-1-imine is [H]/N=c1\cccc2oc3ccccc3nc1-2.
What is the InChIKey of phenoxazin-1-imine?
The InChIKey is BPRNHQPYFHCUMP-MDWZMJQESA-N. The full InChI is InChI=1S/C12H8N2O/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,13H/b13-8+.
What are the key properties of phenoxazin-1-imine?
phenoxazin-1-imine has a molecular weight of 196.21 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxazin-1-imine is sourced from PubChem (CID 86103991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).