N'-(2-phenylethenyl)ethanimidamide

C10H12N2 — CID 54086557

IUPACN'-(2-phenylethenyl)ethanimidamide
SMILESC/C(N)=N\C=Cc1ccccc1
InChIInChI=1S/C10H12N2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,11,12)
InChIKeyMQXHXONBEDEVBK-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.03
Rot. Bonds2

About N'-(2-phenylethenyl)ethanimidamide

N'-(2-phenylethenyl)ethanimidamide (PubChem CID 54086557) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N'-(2-phenylethenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-phenylethenyl)ethanimidamide
PubChem CID54086557
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN'-(2-phenylethenyl)ethanimidamide
SMILESC/C(N)=N\C=Cc1ccccc1
InChIInChI=1S/C10H12N2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,11,12)
InChIKeyMQXHXONBEDEVBK-UHFFFAOYSA-N
XLogP2.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-(2-phenylethenyl)ethanimidamide?
The IUPAC name of N'-(2-phenylethenyl)ethanimidamide (CID 54086557) is N'-(2-phenylethenyl)ethanimidamide.
What is the SMILES notation for N'-(2-phenylethenyl)ethanimidamide?
The canonical SMILES for N'-(2-phenylethenyl)ethanimidamide is C/C(N)=N\C=Cc1ccccc1.
What is the InChIKey of N'-(2-phenylethenyl)ethanimidamide?
The InChIKey is MQXHXONBEDEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,11,12).
What are the key properties of N'-(2-phenylethenyl)ethanimidamide?
N'-(2-phenylethenyl)ethanimidamide has a molecular weight of 160.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethenyl)ethanimidamide is sourced from PubChem (CID 54086557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).