N-(1-cyanoethenyl)acetamide

C5H6N2O — CID 86050643

IUPACN-(1-cyanoethenyl)acetamide
SMILESC=C(C#N)NC(C)=O
InChIInChI=1S/C5H6N2O/c1-4(3-6)7-5(2)8/h1H2,2H3,(H,7,8)
InChIKeyQODMSLCXVLMDIK-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.16
Rot. Bonds1

About N-(1-cyanoethenyl)acetamide

N-(1-cyanoethenyl)acetamide (PubChem CID 86050643) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is N-(1-cyanoethenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanoethenyl)acetamide
PubChem CID86050643
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC NameN-(1-cyanoethenyl)acetamide
SMILESC=C(C#N)NC(C)=O
InChIInChI=1S/C5H6N2O/c1-4(3-6)7-5(2)8/h1H2,2H3,(H,7,8)
InChIKeyQODMSLCXVLMDIK-UHFFFAOYSA-N
XLogP0.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.16
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-(1-cyanoethenyl)acetamide?
The IUPAC name of N-(1-cyanoethenyl)acetamide (CID 86050643) is N-(1-cyanoethenyl)acetamide.
What is the SMILES notation for N-(1-cyanoethenyl)acetamide?
The canonical SMILES for N-(1-cyanoethenyl)acetamide is C=C(C#N)NC(C)=O.
What is the InChIKey of N-(1-cyanoethenyl)acetamide?
The InChIKey is QODMSLCXVLMDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-4(3-6)7-5(2)8/h1H2,2H3,(H,7,8).
What are the key properties of N-(1-cyanoethenyl)acetamide?
N-(1-cyanoethenyl)acetamide has a molecular weight of 110.12 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethenyl)acetamide is sourced from PubChem (CID 86050643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).