(E)-2-(propanoylamino)but-2-enamide

C7H12N2O2 — CID 134892596

IUPAC(E)-2-(propanoylamino)but-2-enamide
SMILESC/C=C(/NC(=O)CC)C(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-5(7(8)11)9-6(10)4-2/h3H,4H2,1-2H3,(H2,8,11)(H,9,10)/b5-3+
InChIKeyKVCXRUMLIZNASA-HWKANZROSA-N
MW156.19 g/mol
LogP-0.10
Rot. Bonds3

About (E)-2-(propanoylamino)but-2-enamide

(E)-2-(propanoylamino)but-2-enamide (PubChem CID 134892596) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (E)-2-(propanoylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-2-(propanoylamino)but-2-enamide
PubChem CID134892596
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name(E)-2-(propanoylamino)but-2-enamide
SMILESC/C=C(/NC(=O)CC)C(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-5(7(8)11)9-6(10)4-2/h3H,4H2,1-2H3,(H2,8,11)(H,9,10)/b5-3+
InChIKeyKVCXRUMLIZNASA-HWKANZROSA-N
XLogP-0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.10
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 (E)-2-(propanoylamino)but-2-enamide?
The IUPAC name of (E)-2-(propanoylamino)but-2-enamide (CID 134892596) is (E)-2-(propanoylamino)but-2-enamide.
What is the SMILES notation for (E)-2-(propanoylamino)but-2-enamide?
The canonical SMILES for (E)-2-(propanoylamino)but-2-enamide is C/C=C(/NC(=O)CC)C(N)=O.
What is the InChIKey of (E)-2-(propanoylamino)but-2-enamide?
The InChIKey is KVCXRUMLIZNASA-HWKANZROSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5(7(8)11)9-6(10)4-2/h3H,4H2,1-2H3,(H2,8,11)(H,9,10)/b5-3+.
What are the key properties of (E)-2-(propanoylamino)but-2-enamide?
(E)-2-(propanoylamino)but-2-enamide has a molecular weight of 156.19 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(propanoylamino)but-2-enamide is sourced from PubChem (CID 134892596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).