N-(2-cyanoethyl)acetamide

C5H8N2O — CID 15084875

IUPACN-(2-cyanoethyl)acetamide
SMILESCC(=O)NCCC#N
InChIInChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h2,4H2,1H3,(H,7,8)
InChIKeyBCCCXAYKRGNVFN-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.04
Rot. Bonds2

About N-(2-cyanoethyl)acetamide

N-(2-cyanoethyl)acetamide (PubChem CID 15084875) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)acetamide
PubChem CID15084875
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(2-cyanoethyl)acetamide
SMILESCC(=O)NCCC#N
InChIInChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h2,4H2,1H3,(H,7,8)
InChIKeyBCCCXAYKRGNVFN-UHFFFAOYSA-N
XLogP0.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)acetamide (CID 15084875) is N-(2-cyanoethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)acetamide is CC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)acetamide?
The InChIKey is BCCCXAYKRGNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h2,4H2,1H3,(H,7,8).
What are the key properties of N-(2-cyanoethyl)acetamide?
N-(2-cyanoethyl)acetamide has a molecular weight of 112.13 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 15084875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).