2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide

C14H13N3O — CID 19734554

IUPAC2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide
SMILESN#Cc1occc1/C(N)=N/CCc1ccccc1
InChIInChI=1S/C14H13N3O/c15-10-13-12(7-9-18-13)14(16)17-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2,(H2,16,17)
InChIKeyFHQKGTOYFKFEQC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.10
Rot. Bonds4

About 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide

2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide (PubChem CID 19734554) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide.

Molecular Properties

Compound Name2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide
PubChem CID19734554
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide
SMILESN#Cc1occc1/C(N)=N/CCc1ccccc1
InChIInChI=1S/C14H13N3O/c15-10-13-12(7-9-18-13)14(16)17-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2,(H2,16,17)
InChIKeyFHQKGTOYFKFEQC-UHFFFAOYSA-N
XLogP2.10
TPSA75.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide?
The IUPAC name of 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide (CID 19734554) is 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide.
What is the SMILES notation for 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide?
The canonical SMILES for 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide is N#Cc1occc1/C(N)=N/CCc1ccccc1.
What is the InChIKey of 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide?
The InChIKey is FHQKGTOYFKFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-10-13-12(7-9-18-13)14(16)17-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2,(H2,16,17).
What are the key properties of 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide?
2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide has a molecular weight of 239.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N'-(2-phenylethyl)furan-3-carboximidamide is sourced from PubChem (CID 19734554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).