manganese(2+);bis(N-oxido-N-phenylnitrous amide)

C12H10MnN4O4 — CID 131874368

IUPACmanganese(2+);bis(N-oxido-N-phenylnitrous amide)
SMILESO=NN([O-])c1ccccc1.O=NN([O-])c1ccccc1.[Mn+2]
InChIInChI=1S/2C6H5N2O2.Mn/c2*9-7-8(10)6-4-2-1-3-5-6;/h2*1-5H;/q2*-1;+2
InChIKeyYFUDMJCXHNSXRU-UHFFFAOYSA-N
MW329.17 g/mol
LogP3.34
Rot. Bonds4

About manganese(2+);bis(N-oxido-N-phenylnitrous amide)

manganese(2+);bis(N-oxido-N-phenylnitrous amide) (PubChem CID 131874368) has the molecular formula C12H10MnN4O4 and a molecular weight of 329.17 g/mol. Its IUPAC name is manganese(2+);bis(N-oxido-N-phenylnitrous amide).

Molecular Properties

Compound Namemanganese(2+);bis(N-oxido-N-phenylnitrous amide)
PubChem CID131874368
Molecular FormulaC12H10MnN4O4
Molecular Weight329.17 g/mol
Exact Mass329.01
IUPAC Namemanganese(2+);bis(N-oxido-N-phenylnitrous amide)
SMILESO=NN([O-])c1ccccc1.O=NN([O-])c1ccccc1.[Mn+2]
InChIInChI=1S/2C6H5N2O2.Mn/c2*9-7-8(10)6-4-2-1-3-5-6;/h2*1-5H;/q2*-1;+2
InChIKeyYFUDMJCXHNSXRU-UHFFFAOYSA-N
XLogP3.34
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N-phenylnitrous amide;azane
CID 174470664
N-isocyanato-N-phenylnitrous amide
CID 172967685
N,N-diphenylaniline;silane
CID 131739129
N-oxido-N-phosphanylaniline
CID 163802295
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate
CID 20978317
N-(2-aminoethyl)-N-phenylnitrous amide;hydrochloride
CID 172990021
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
1,2-dinitrobenzene;N,N-diphenylaniline
CID 174468566

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(N-oxido-N-phenylnitrous amide)?
The IUPAC name of manganese(2+);bis(N-oxido-N-phenylnitrous amide) (CID 131874368) is manganese(2+);bis(N-oxido-N-phenylnitrous amide).
What is the SMILES notation for manganese(2+);bis(N-oxido-N-phenylnitrous amide)?
The canonical SMILES for manganese(2+);bis(N-oxido-N-phenylnitrous amide) is O=NN([O-])c1ccccc1.O=NN([O-])c1ccccc1.[Mn+2].
What is the InChIKey of manganese(2+);bis(N-oxido-N-phenylnitrous amide)?
The InChIKey is YFUDMJCXHNSXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5N2O2.Mn/c2*9-7-8(10)6-4-2-1-3-5-6;/h2*1-5H;/q2*-1;+2.
What are the key properties of manganese(2+);bis(N-oxido-N-phenylnitrous amide)?
manganese(2+);bis(N-oxido-N-phenylnitrous amide) has a molecular weight of 329.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(N-oxido-N-phenylnitrous amide) is sourced from PubChem (CID 131874368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).