(E)-N-(2-methoxyethyl)-4-oxopent-2-enamide

C8H13NO3 — CID 129091866

IUPAC(E)-N-(2-methoxyethyl)-4-oxopent-2-enamide
SMILESCOCCNC(=O)/C=C/C(C)=O
InChIInChI=1S/C8H13NO3/c1-7(10)3-4-8(11)9-5-6-12-2/h3-4H,5-6H2,1-2H3,(H,9,11)/b4-3+
InChIKeyXWWSUZRSVWRKJN-ONEGZZNKSA-N
MW171.20 g/mol
LogP-0.11
Rot. Bonds5

About (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide

(E)-N-(2-methoxyethyl)-4-oxopent-2-enamide (PubChem CID 129091866) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-4-oxopent-2-enamide
PubChem CID129091866
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(E)-N-(2-methoxyethyl)-4-oxopent-2-enamide
SMILESCOCCNC(=O)/C=C/C(C)=O
InChIInChI=1S/C8H13NO3/c1-7(10)3-4-8(11)9-5-6-12-2/h3-4H,5-6H2,1-2H3,(H,9,11)/b4-3+
InChIKeyXWWSUZRSVWRKJN-ONEGZZNKSA-N
XLogP-0.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-methoxyethyl)-4-oxopent-2-enamide?
The IUPAC name of (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide (CID 129091866) is (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide is COCCNC(=O)/C=C/C(C)=O.
What is the InChIKey of (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide?
The InChIKey is XWWSUZRSVWRKJN-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13NO3/c1-7(10)3-4-8(11)9-5-6-12-2/h3-4H,5-6H2,1-2H3,(H,9,11)/b4-3+.
What are the key properties of (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide?
(E)-N-(2-methoxyethyl)-4-oxopent-2-enamide has a molecular weight of 171.20 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-4-oxopent-2-enamide is sourced from PubChem (CID 129091866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).