(Z)-3-acetamidoprop-2-enamide

C5H8N2O2 — CID 5325890

IUPAC(Z)-3-acetamidoprop-2-enamide
SMILESCC(=O)N/C=C\C(N)=O
InChIInChI=1S/C5H8N2O2/c1-4(8)7-3-2-5(6)9/h2-3H,1H3,(H2,6,9)(H,7,8)/b3-2-
InChIKeyHLNHATVSKCFYKH-IHWYPQMZSA-N
MW128.13 g/mol
LogP-0.88
Rot. Bonds2

About (Z)-3-acetamidoprop-2-enamide

(Z)-3-acetamidoprop-2-enamide (PubChem CID 5325890) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (Z)-3-acetamidoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-acetamidoprop-2-enamide
PubChem CID5325890
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(Z)-3-acetamidoprop-2-enamide
SMILESCC(=O)N/C=C\C(N)=O
InChIInChI=1S/C5H8N2O2/c1-4(8)7-3-2-5(6)9/h2-3H,1H3,(H2,6,9)(H,7,8)/b3-2-
InChIKeyHLNHATVSKCFYKH-IHWYPQMZSA-N
XLogP-0.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.88
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 (Z)-3-acetamidoprop-2-enamide?
The IUPAC name of (Z)-3-acetamidoprop-2-enamide (CID 5325890) is (Z)-3-acetamidoprop-2-enamide.
What is the SMILES notation for (Z)-3-acetamidoprop-2-enamide?
The canonical SMILES for (Z)-3-acetamidoprop-2-enamide is CC(=O)N/C=C\C(N)=O.
What is the InChIKey of (Z)-3-acetamidoprop-2-enamide?
The InChIKey is HLNHATVSKCFYKH-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4(8)7-3-2-5(6)9/h2-3H,1H3,(H2,6,9)(H,7,8)/b3-2-.
What are the key properties of (Z)-3-acetamidoprop-2-enamide?
(Z)-3-acetamidoprop-2-enamide has a molecular weight of 128.13 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-acetamidoprop-2-enamide is sourced from PubChem (CID 5325890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).