[4-(phosphanylamino)phenyl] cyanate

C7H7N2OP — CID 69032253

IUPAC[4-(phosphanylamino)phenyl] cyanate
SMILESN#COc1ccc(NP)cc1
InChIInChI=1S/C7H7N2OP/c8-5-10-7-3-1-6(9-11)2-4-7/h1-4,9H,11H2
InChIKeySEVJDMOVEQGLHV-UHFFFAOYSA-N
MW166.12 g/mol
LogP1.75
Rot. Bonds2

About [4-(phosphanylamino)phenyl] cyanate

[4-(phosphanylamino)phenyl] cyanate (PubChem CID 69032253) has the molecular formula C7H7N2OP and a molecular weight of 166.12 g/mol. Its IUPAC name is [4-(phosphanylamino)phenyl] cyanate.

Molecular Properties

Compound Name[4-(phosphanylamino)phenyl] cyanate
PubChem CID69032253
Molecular FormulaC7H7N2OP
Molecular Weight166.12 g/mol
Exact Mass166.03
IUPAC Name[4-(phosphanylamino)phenyl] cyanate
SMILESN#COc1ccc(NP)cc1
InChIInChI=1S/C7H7N2OP/c8-5-10-7-3-1-6(9-11)2-4-7/h1-4,9H,11H2
InChIKeySEVJDMOVEQGLHV-UHFFFAOYSA-N
XLogP1.75
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(phosphanyl)benzene-1,4-diamine
CID 87247187
[4-(trifluoromethylsulfanyl)phenyl] cyanate
CID 176737925
[4-(dimethylamino)phenyl] cyanate
CID 143832425
[4-[amino-(4-cyanatophenyl)methyl]phenyl] cyanate
CID 67743158
methyl 4-cyanatobenzoate
CID 54315897
[4-(2-methylprop-2-enyl)phenyl] cyanate
CID 19967623
(4-fluorosulfonyloxyphenyl) cyanate
CID 144973771
[4-(4-cyanatobenzoyl)oxyphenyl] 4-cyanatobenzoate
CID 23373872
methane;phenyl cyanate;propane
CID 158347144
[4-[3-(4-cyanatophenyl)-2-phenyl-1,2-dihydroindol-3-yl]phenyl] cyanate
CID 157095796
(4-cyclododecylphenyl) cyanate
CID 142705601
[4-[1-(4-cyanatophenyl)-1,2,2,3,3,3-hexafluoropropyl]phenyl] cyanate
CID 139634347

Frequently Asked Questions

What is the IUPAC name of [4-(phosphanylamino)phenyl] cyanate?
The IUPAC name of [4-(phosphanylamino)phenyl] cyanate (CID 69032253) is [4-(phosphanylamino)phenyl] cyanate.
What is the SMILES notation for [4-(phosphanylamino)phenyl] cyanate?
The canonical SMILES for [4-(phosphanylamino)phenyl] cyanate is N#COc1ccc(NP)cc1.
What is the InChIKey of [4-(phosphanylamino)phenyl] cyanate?
The InChIKey is SEVJDMOVEQGLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2OP/c8-5-10-7-3-1-6(9-11)2-4-7/h1-4,9H,11H2.
What are the key properties of [4-(phosphanylamino)phenyl] cyanate?
[4-(phosphanylamino)phenyl] cyanate has a molecular weight of 166.12 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phosphanylamino)phenyl] cyanate is sourced from PubChem (CID 69032253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).