N'-(4-cyanophenyl)ethanimidamide

C9H9N3 — CID 24745536

IUPACN'-(4-cyanophenyl)ethanimidamide
SMILESC/C(N)=N\c1ccc(C#N)cc1
InChIInChI=1S/C9H9N3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H2,11,12)
InChIKeyKGFNIAGZEZNIKD-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.57
Rot. Bonds1

About N'-(4-cyanophenyl)ethanimidamide

N'-(4-cyanophenyl)ethanimidamide (PubChem CID 24745536) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N'-(4-cyanophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)ethanimidamide
PubChem CID24745536
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC NameN'-(4-cyanophenyl)ethanimidamide
SMILESC/C(N)=N\c1ccc(C#N)cc1
InChIInChI=1S/C9H9N3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H2,11,12)
InChIKeyKGFNIAGZEZNIKD-UHFFFAOYSA-N
XLogP1.57
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(4-cyanophenyl)ethanimidamide?
The IUPAC name of N'-(4-cyanophenyl)ethanimidamide (CID 24745536) is N'-(4-cyanophenyl)ethanimidamide.
What is the SMILES notation for N'-(4-cyanophenyl)ethanimidamide?
The canonical SMILES for N'-(4-cyanophenyl)ethanimidamide is C/C(N)=N\c1ccc(C#N)cc1.
What is the InChIKey of N'-(4-cyanophenyl)ethanimidamide?
The InChIKey is KGFNIAGZEZNIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H2,11,12).
What are the key properties of N'-(4-cyanophenyl)ethanimidamide?
N'-(4-cyanophenyl)ethanimidamide has a molecular weight of 159.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)ethanimidamide is sourced from PubChem (CID 24745536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).