2-(2-methylpropanoylamino)but-2-enamide

C8H14N2O2 — CID 57262918

IUPAC2-(2-methylpropanoylamino)but-2-enamide
SMILESCC=C(NC(=O)C(C)C)C(N)=O
InChIInChI=1S/C8H14N2O2/c1-4-6(7(9)11)10-8(12)5(2)3/h4-5H,1-3H3,(H2,9,11)(H,10,12)
InChIKeyOQIKOKKRSXPWFW-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.15
Rot. Bonds3

About 2-(2-methylpropanoylamino)but-2-enamide

2-(2-methylpropanoylamino)but-2-enamide (PubChem CID 57262918) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)but-2-enamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)but-2-enamide
PubChem CID57262918
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(2-methylpropanoylamino)but-2-enamide
SMILESCC=C(NC(=O)C(C)C)C(N)=O
InChIInChI=1S/C8H14N2O2/c1-4-6(7(9)11)10-8(12)5(2)3/h4-5H,1-3H3,(H2,9,11)(H,10,12)
InChIKeyOQIKOKKRSXPWFW-UHFFFAOYSA-N
XLogP0.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)but-2-enamide?
The IUPAC name of 2-(2-methylpropanoylamino)but-2-enamide (CID 57262918) is 2-(2-methylpropanoylamino)but-2-enamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)but-2-enamide?
The canonical SMILES for 2-(2-methylpropanoylamino)but-2-enamide is CC=C(NC(=O)C(C)C)C(N)=O.
What is the InChIKey of 2-(2-methylpropanoylamino)but-2-enamide?
The InChIKey is OQIKOKKRSXPWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-6(7(9)11)10-8(12)5(2)3/h4-5H,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of 2-(2-methylpropanoylamino)but-2-enamide?
2-(2-methylpropanoylamino)but-2-enamide has a molecular weight of 170.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)but-2-enamide is sourced from PubChem (CID 57262918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).