(4-nitrophenoxy)iminocyanamide

C7H4N4O3 — CID 88629705

IUPAC(4-nitrophenoxy)iminocyanamide
SMILESN#C/N=N/Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H4N4O3/c8-5-9-10-14-7-3-1-6(2-4-7)11(12)13/h1-4H/b10-9+
InChIKeyAWZZCFWWUNRNMC-MDZDMXLPSA-N
MW192.13 g/mol
LogP1.82
Rot. Bonds3

About (4-nitrophenoxy)iminocyanamide

(4-nitrophenoxy)iminocyanamide (PubChem CID 88629705) has the molecular formula C7H4N4O3 and a molecular weight of 192.13 g/mol. Its IUPAC name is (4-nitrophenoxy)iminocyanamide.

Molecular Properties

Compound Name(4-nitrophenoxy)iminocyanamide
PubChem CID88629705
Molecular FormulaC7H4N4O3
Molecular Weight192.13 g/mol
Exact Mass192.03
IUPAC Name(4-nitrophenoxy)iminocyanamide
SMILESN#C/N=N/Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H4N4O3/c8-5-9-10-14-7-3-1-6(2-4-7)11(12)13/h1-4H/b10-9+
InChIKeyAWZZCFWWUNRNMC-MDZDMXLPSA-N
XLogP1.82
TPSA100.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenoxy)cyclohexanimine
CID 2927145
CID 153008841
CID 153008841
(E)-N-(4-nitrophenoxy)butan-2-imine
CID 11333252
sodium;acetonitrile;1,4-dinitrobenzene;hydride
CID 175263716
1-[1-[1,1-bis(4-nitrophenoxy)ethoxy]-1-(4-nitrophenoxy)ethoxy]-4-nitrobenzene
CID 20979717
2,3-bis(4-nitrophenoxy)buta-1,3-diene-1,4-dione
CID 134888183
1,4-dinitrobenzene;nitrous acid
CID 174371180
(4-nitrophenyl) 2-cyanoacetate
CID 12861984
bis(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
CID 13048547
1-(chloroamino)oxy-4-nitrobenzene
CID 143366644
(4-nitrophenyl) phosphate
CID 4686862
trihydroxy-(4-nitrophenoxy)phosphanium
CID 70832943

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenoxy)iminocyanamide?
The IUPAC name of (4-nitrophenoxy)iminocyanamide (CID 88629705) is (4-nitrophenoxy)iminocyanamide.
What is the SMILES notation for (4-nitrophenoxy)iminocyanamide?
The canonical SMILES for (4-nitrophenoxy)iminocyanamide is N#C/N=N/Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenoxy)iminocyanamide?
The InChIKey is AWZZCFWWUNRNMC-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H4N4O3/c8-5-9-10-14-7-3-1-6(2-4-7)11(12)13/h1-4H/b10-9+.
What are the key properties of (4-nitrophenoxy)iminocyanamide?
(4-nitrophenoxy)iminocyanamide has a molecular weight of 192.13 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenoxy)iminocyanamide is sourced from PubChem (CID 88629705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).