N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide

C12H10N4O — CID 67897624

IUPACN-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide
SMILESCC(=O)N/C(C#N)=C(/C#N)c1ccccc1N
InChIInChI=1S/C12H10N4O/c1-8(17)16-12(7-14)10(6-13)9-4-2-3-5-11(9)15/h2-5H,15H2,1H3,(H,16,17)/b12-10-
InChIKeyOVCNDMOQBDPYPX-BENRWUELSA-N
MW226.24 g/mol
LogP1.16
Rot. Bonds2

About N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide

N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide (PubChem CID 67897624) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide
PubChem CID67897624
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide
SMILESCC(=O)N/C(C#N)=C(/C#N)c1ccccc1N
InChIInChI=1S/C12H10N4O/c1-8(17)16-12(7-14)10(6-13)9-4-2-3-5-11(9)15/h2-5H,15H2,1H3,(H,16,17)/b12-10-
InChIKeyOVCNDMOQBDPYPX-BENRWUELSA-N
XLogP1.16
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide?
The IUPAC name of N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide (CID 67897624) is N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide.
What is the SMILES notation for N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide?
The canonical SMILES for N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide is CC(=O)N/C(C#N)=C(/C#N)c1ccccc1N.
What is the InChIKey of N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide?
The InChIKey is OVCNDMOQBDPYPX-BENRWUELSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8(17)16-12(7-14)10(6-13)9-4-2-3-5-11(9)15/h2-5H,15H2,1H3,(H,16,17)/b12-10-.
What are the key properties of N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide?
N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-aminophenyl)-1,2-dicyanoethenyl]acetamide is sourced from PubChem (CID 67897624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).