phenoxycarbonyliminocarbamic acid

C8H6N2O4 — CID 68503217

IUPACphenoxycarbonyliminocarbamic acid
SMILESO=C(O)N=NC(=O)Oc1ccccc1
InChIInChI=1S/C8H6N2O4/c11-7(12)9-10-8(13)14-6-4-2-1-3-5-6/h1-5H,(H,11,12)
InChIKeyUZDJFPMICVYVEU-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.32
Rot. Bonds1

About phenoxycarbonyliminocarbamic acid

phenoxycarbonyliminocarbamic acid (PubChem CID 68503217) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is phenoxycarbonyliminocarbamic acid.

Molecular Properties

Compound Namephenoxycarbonyliminocarbamic acid
PubChem CID68503217
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Namephenoxycarbonyliminocarbamic acid
SMILESO=C(O)N=NC(=O)Oc1ccccc1
InChIInChI=1S/C8H6N2O4/c11-7(12)9-10-8(13)14-6-4-2-1-3-5-6/h1-5H,(H,11,12)
InChIKeyUZDJFPMICVYVEU-UHFFFAOYSA-N
XLogP2.32
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
phenyl N-sulfanylidenecarbamate
CID 13221372
phenyl N-ethylidenecarbamate
CID 57026062
phenyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754860
triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate
CID 140646335
benzyl N-(4-methylphenoxy)carbonyliminocarbamate
CID 140646264
diphenyl oxalate;ethane
CID 162013592
iron;phenyl carbonochloridate
CID 159914445
disodium phenyl carbonate
CID 175143803
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
azanium phenyl carbonate
CID 21418846
phenyl acetate;hydroiodide
CID 172788123

Frequently Asked Questions

What is the IUPAC name of phenoxycarbonyliminocarbamic acid?
The IUPAC name of phenoxycarbonyliminocarbamic acid (CID 68503217) is phenoxycarbonyliminocarbamic acid.
What is the SMILES notation for phenoxycarbonyliminocarbamic acid?
The canonical SMILES for phenoxycarbonyliminocarbamic acid is O=C(O)N=NC(=O)Oc1ccccc1.
What is the InChIKey of phenoxycarbonyliminocarbamic acid?
The InChIKey is UZDJFPMICVYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-7(12)9-10-8(13)14-6-4-2-1-3-5-6/h1-5H,(H,11,12).
What are the key properties of phenoxycarbonyliminocarbamic acid?
phenoxycarbonyliminocarbamic acid has a molecular weight of 194.15 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxycarbonyliminocarbamic acid is sourced from PubChem (CID 68503217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).