1-cyano-2-(cyclooctatetraenyl)guanidine

C10H10N4 — CID 134388078

IUPAC1-cyano-2-(cyclooctatetraenyl)guanidine
SMILESN#CN/C(N)=N\C1=C\C=C/C=C/C=C\1
InChIInChI=1S/C10H10N4/c11-8-13-10(12)14-9-6-4-2-1-3-5-7-9/h1-7H,(H3,12,13,14)/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,9-6+,9-7+
InChIKeyRRHAFMYHXCOWMC-UINVJAIFSA-N
MW186.22 g/mol
LogP0.94
Rot. Bonds1

About 1-cyano-2-(cyclooctatetraenyl)guanidine

1-cyano-2-(cyclooctatetraenyl)guanidine (PubChem CID 134388078) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 1-cyano-2-(cyclooctatetraenyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(cyclooctatetraenyl)guanidine
PubChem CID134388078
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name1-cyano-2-(cyclooctatetraenyl)guanidine
SMILESN#CN/C(N)=N\C1=C\C=C/C=C/C=C\1
InChIInChI=1S/C10H10N4/c11-8-13-10(12)14-9-6-4-2-1-3-5-7-9/h1-7H,(H3,12,13,14)/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,9-6+,9-7+
InChIKeyRRHAFMYHXCOWMC-UINVJAIFSA-N
XLogP0.94
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(cyclooctatetraenyl)guanidine?
The IUPAC name of 1-cyano-2-(cyclooctatetraenyl)guanidine (CID 134388078) is 1-cyano-2-(cyclooctatetraenyl)guanidine.
What is the SMILES notation for 1-cyano-2-(cyclooctatetraenyl)guanidine?
The canonical SMILES for 1-cyano-2-(cyclooctatetraenyl)guanidine is N#CN/C(N)=N\C1=C\C=C/C=C/C=C\1.
What is the InChIKey of 1-cyano-2-(cyclooctatetraenyl)guanidine?
The InChIKey is RRHAFMYHXCOWMC-UINVJAIFSA-N. The full InChI is InChI=1S/C10H10N4/c11-8-13-10(12)14-9-6-4-2-1-3-5-7-9/h1-7H,(H3,12,13,14)/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,9-6+,9-7+.
What are the key properties of 1-cyano-2-(cyclooctatetraenyl)guanidine?
1-cyano-2-(cyclooctatetraenyl)guanidine has a molecular weight of 186.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(cyclooctatetraenyl)guanidine is sourced from PubChem (CID 134388078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).