cyano furan-3-carboximidate

C6H4N2O2 — CID 19809439

IUPACcyano furan-3-carboximidate
SMILES[H]/N=C(\OC#N)c1ccoc1
InChIInChI=1S/C6H4N2O2/c7-4-10-6(8)5-1-2-9-3-5/h1-3,8H/b8-6-
InChIKeyRHKUHHHTSZGWDV-VURMDHGXSA-N
MW136.11 g/mol
LogP1.10
Rot. Bonds1

About cyano furan-3-carboximidate

cyano furan-3-carboximidate (PubChem CID 19809439) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is cyano furan-3-carboximidate.

Molecular Properties

Compound Namecyano furan-3-carboximidate
PubChem CID19809439
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Namecyano furan-3-carboximidate
SMILES[H]/N=C(\OC#N)c1ccoc1
InChIInChI=1S/C6H4N2O2/c7-4-10-6(8)5-1-2-9-3-5/h1-3,8H/b8-6-
InChIKeyRHKUHHHTSZGWDV-VURMDHGXSA-N
XLogP1.10
TPSA70.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 cyano furan-3-carboximidate?
The IUPAC name of cyano furan-3-carboximidate (CID 19809439) is cyano furan-3-carboximidate.
What is the SMILES notation for cyano furan-3-carboximidate?
The canonical SMILES for cyano furan-3-carboximidate is [H]/N=C(\OC#N)c1ccoc1.
What is the InChIKey of cyano furan-3-carboximidate?
The InChIKey is RHKUHHHTSZGWDV-VURMDHGXSA-N. The full InChI is InChI=1S/C6H4N2O2/c7-4-10-6(8)5-1-2-9-3-5/h1-3,8H/b8-6-.
What are the key properties of cyano furan-3-carboximidate?
cyano furan-3-carboximidate has a molecular weight of 136.11 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyano furan-3-carboximidate is sourced from PubChem (CID 19809439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).