2-acetamidobut-3-enamide

C6H10N2O2 — CID 21340822

IUPAC2-acetamidobut-3-enamide
SMILESC=CC(NC(C)=O)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-3-5(6(7)10)8-4(2)9/h3,5H,1H2,2H3,(H2,7,10)(H,8,9)
InChIKeyMEBDEZCPWUFIQG-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.84
Rot. Bonds3

About 2-acetamidobut-3-enamide

2-acetamidobut-3-enamide (PubChem CID 21340822) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-acetamidobut-3-enamide.

Molecular Properties

Compound Name2-acetamidobut-3-enamide
PubChem CID21340822
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-acetamidobut-3-enamide
SMILESC=CC(NC(C)=O)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-3-5(6(7)10)8-4(2)9/h3,5H,1H2,2H3,(H2,7,10)(H,8,9)
InChIKeyMEBDEZCPWUFIQG-UHFFFAOYSA-N
XLogP-0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidobut-3-enamide?
The IUPAC name of 2-acetamidobut-3-enamide (CID 21340822) is 2-acetamidobut-3-enamide.
What is the SMILES notation for 2-acetamidobut-3-enamide?
The canonical SMILES for 2-acetamidobut-3-enamide is C=CC(NC(C)=O)C(N)=O.
What is the InChIKey of 2-acetamidobut-3-enamide?
The InChIKey is MEBDEZCPWUFIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-5(6(7)10)8-4(2)9/h3,5H,1H2,2H3,(H2,7,10)(H,8,9).
What are the key properties of 2-acetamidobut-3-enamide?
2-acetamidobut-3-enamide has a molecular weight of 142.16 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidobut-3-enamide is sourced from PubChem (CID 21340822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).