4-acetyliminobutanamide

C6H10N2O2 — CID 57228696

IUPAC4-acetyliminobutanamide
SMILESCC(=O)/N=C/CCC(N)=O
InChIInChI=1S/C6H10N2O2/c1-5(9)8-4-2-3-6(7)10/h4H,2-3H2,1H3,(H2,7,10)/b8-4+
InChIKeyKNWDOIJFEUIXEF-XBXARRHUSA-N
MW142.16 g/mol
LogP-0.13
Rot. Bonds3

About 4-acetyliminobutanamide

4-acetyliminobutanamide (PubChem CID 57228696) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-acetyliminobutanamide.

Molecular Properties

Compound Name4-acetyliminobutanamide
PubChem CID57228696
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4-acetyliminobutanamide
SMILESCC(=O)/N=C/CCC(N)=O
InChIInChI=1S/C6H10N2O2/c1-5(9)8-4-2-3-6(7)10/h4H,2-3H2,1H3,(H2,7,10)/b8-4+
InChIKeyKNWDOIJFEUIXEF-XBXARRHUSA-N
XLogP-0.13
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyliminobutanamide?
The IUPAC name of 4-acetyliminobutanamide (CID 57228696) is 4-acetyliminobutanamide.
What is the SMILES notation for 4-acetyliminobutanamide?
The canonical SMILES for 4-acetyliminobutanamide is CC(=O)/N=C/CCC(N)=O.
What is the InChIKey of 4-acetyliminobutanamide?
The InChIKey is KNWDOIJFEUIXEF-XBXARRHUSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(9)8-4-2-3-6(7)10/h4H,2-3H2,1H3,(H2,7,10)/b8-4+.
What are the key properties of 4-acetyliminobutanamide?
4-acetyliminobutanamide has a molecular weight of 142.16 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyliminobutanamide is sourced from PubChem (CID 57228696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).