(E)-N-(3-oxopropyl)but-2-enamide

C7H11NO2 — CID 55298836

IUPAC(E)-N-(3-oxopropyl)but-2-enamide
SMILESC/C=C/C(=O)NCCC=O
InChIInChI=1S/C7H11NO2/c1-2-4-7(10)8-5-3-6-9/h2,4,6H,3,5H2,1H3,(H,8,10)/b4-2+
InChIKeyZKMGEAKYKFRJBG-DUXPYHPUSA-N
MW141.17 g/mol
LogP0.27
Rot. Bonds4

About (E)-N-(3-oxopropyl)but-2-enamide

(E)-N-(3-oxopropyl)but-2-enamide (PubChem CID 55298836) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (E)-N-(3-oxopropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-oxopropyl)but-2-enamide
PubChem CID55298836
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(E)-N-(3-oxopropyl)but-2-enamide
SMILESC/C=C/C(=O)NCCC=O
InChIInChI=1S/C7H11NO2/c1-2-4-7(10)8-5-3-6-9/h2,4,6H,3,5H2,1H3,(H,8,10)/b4-2+
InChIKeyZKMGEAKYKFRJBG-DUXPYHPUSA-N
XLogP0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-oxopropyl)but-2-enamide?
The IUPAC name of (E)-N-(3-oxopropyl)but-2-enamide (CID 55298836) is (E)-N-(3-oxopropyl)but-2-enamide.
What is the SMILES notation for (E)-N-(3-oxopropyl)but-2-enamide?
The canonical SMILES for (E)-N-(3-oxopropyl)but-2-enamide is C/C=C/C(=O)NCCC=O.
What is the InChIKey of (E)-N-(3-oxopropyl)but-2-enamide?
The InChIKey is ZKMGEAKYKFRJBG-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-4-7(10)8-5-3-6-9/h2,4,6H,3,5H2,1H3,(H,8,10)/b4-2+.
What are the key properties of (E)-N-(3-oxopropyl)but-2-enamide?
(E)-N-(3-oxopropyl)but-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-oxopropyl)but-2-enamide is sourced from PubChem (CID 55298836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).