anilino cyanate

C7H6N2O — CID 57256741

IUPACanilino cyanate
SMILESN#CONc1ccccc1
InChIInChI=1S/C7H6N2O/c8-6-10-9-7-4-2-1-3-5-7/h1-5,9H
InChIKeySPYOHVPJSGMKBB-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.51
Rot. Bonds2

About anilino cyanate

anilino cyanate (PubChem CID 57256741) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is anilino cyanate.

Molecular Properties

Compound Nameanilino cyanate
PubChem CID57256741
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Nameanilino cyanate
SMILESN#CONc1ccccc1
InChIInChI=1S/C7H6N2O/c8-6-10-9-7-4-2-1-3-5-7/h1-5,9H
InChIKeySPYOHVPJSGMKBB-UHFFFAOYSA-N
XLogP1.51
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anilino cyanate?
The IUPAC name of anilino cyanate (CID 57256741) is anilino cyanate.
What is the SMILES notation for anilino cyanate?
The canonical SMILES for anilino cyanate is N#CONc1ccccc1.
What is the InChIKey of anilino cyanate?
The InChIKey is SPYOHVPJSGMKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-6-10-9-7-4-2-1-3-5-7/h1-5,9H.
What are the key properties of anilino cyanate?
anilino cyanate has a molecular weight of 134.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anilino cyanate is sourced from PubChem (CID 57256741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).