N-[3-(2-cyanoethenyl)phenyl]acetamide

C11H10N2O — CID 169483845

IUPACN-[3-(2-cyanoethenyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C=CC#N)c1
InChIInChI=1S/C11H10N2O/c1-9(14)13-11-6-2-4-10(8-11)5-3-7-12/h2-6,8H,1H3,(H,13,14)
InChIKeyOPSXBBKELWOHIK-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.18
Rot. Bonds2

About N-[3-(2-cyanoethenyl)phenyl]acetamide

N-[3-(2-cyanoethenyl)phenyl]acetamide (PubChem CID 169483845) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is N-[3-(2-cyanoethenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-cyanoethenyl)phenyl]acetamide
PubChem CID169483845
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC NameN-[3-(2-cyanoethenyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C=CC#N)c1
InChIInChI=1S/C11H10N2O/c1-9(14)13-11-6-2-4-10(8-11)5-3-7-12/h2-6,8H,1H3,(H,13,14)
InChIKeyOPSXBBKELWOHIK-UHFFFAOYSA-N
XLogP2.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanoethenyl)phenyl]acetamide?
The IUPAC name of N-[3-(2-cyanoethenyl)phenyl]acetamide (CID 169483845) is N-[3-(2-cyanoethenyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-cyanoethenyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-cyanoethenyl)phenyl]acetamide is CC(=O)Nc1cccc(C=CC#N)c1.
What is the InChIKey of N-[3-(2-cyanoethenyl)phenyl]acetamide?
The InChIKey is OPSXBBKELWOHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9(14)13-11-6-2-4-10(8-11)5-3-7-12/h2-6,8H,1H3,(H,13,14).
What are the key properties of N-[3-(2-cyanoethenyl)phenyl]acetamide?
N-[3-(2-cyanoethenyl)phenyl]acetamide has a molecular weight of 186.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyanoethenyl)phenyl]acetamide is sourced from PubChem (CID 169483845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).