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

C9H15NO3 — CID 170359584

IUPAC(E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide
SMILESCCOCCNC(=O)/C=C/C(C)=O
InChIInChI=1S/C9H15NO3/c1-3-13-7-6-10-9(12)5-4-8(2)11/h4-5H,3,6-7H2,1-2H3,(H,10,12)/b5-4+
InChIKeyBAOHNWCRMPKCOR-SNAWJCMRSA-N
MW185.22 g/mol
LogP0.28
Rot. Bonds6

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

(E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide (PubChem CID 170359584) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide
PubChem CID170359584
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide
SMILESCCOCCNC(=O)/C=C/C(C)=O
InChIInChI=1S/C9H15NO3/c1-3-13-7-6-10-9(12)5-4-8(2)11/h4-5H,3,6-7H2,1-2H3,(H,10,12)/b5-4+
InChIKeyBAOHNWCRMPKCOR-SNAWJCMRSA-N
XLogP0.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.28
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-ethoxyethyl)-4-oxopent-2-enamide?
The IUPAC name of (E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide (CID 170359584) is (E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide.
What is the SMILES notation for (E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide?
The canonical SMILES for (E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide is CCOCCNC(=O)/C=C/C(C)=O.
What is the InChIKey of (E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide?
The InChIKey is BAOHNWCRMPKCOR-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-7-6-10-9(12)5-4-8(2)11/h4-5H,3,6-7H2,1-2H3,(H,10,12)/b5-4+.
What are the key properties of (E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide?
(E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide has a molecular weight of 185.22 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethoxyethyl)-4-oxopent-2-enamide is sourced from PubChem (CID 170359584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).