2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide

C9H15NO3 — CID 141038560

IUPAC2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide
SMILESC=CC(=O)C(OCC)C(=O)N(C)C
InChIInChI=1S/C9H15NO3/c1-5-7(11)8(13-6-2)9(12)10(3)4/h5,8H,1,6H2,2-4H3
InChIKeyMWASOBNDIFAJNL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.23
Rot. Bonds5

About 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide

2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide (PubChem CID 141038560) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide.

Molecular Properties

Compound Name2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide
PubChem CID141038560
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide
SMILESC=CC(=O)C(OCC)C(=O)N(C)C
InChIInChI=1S/C9H15NO3/c1-5-7(11)8(13-6-2)9(12)10(3)4/h5,8H,1,6H2,2-4H3
InChIKeyMWASOBNDIFAJNL-UHFFFAOYSA-N
XLogP0.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-prop-2-enoylmorpholine-3,5-dione
CID 169224432
4-Methyl-2-prop-2-enoylmorpholin-3-one
CID 169224433
1-(4-Acetylmorpholin-2-yl)prop-2-en-1-one
CID 175240131

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide?
The IUPAC name of 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide (CID 141038560) is 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide.
What is the SMILES notation for 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide?
The canonical SMILES for 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide is C=CC(=O)C(OCC)C(=O)N(C)C.
What is the InChIKey of 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide?
The InChIKey is MWASOBNDIFAJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-7(11)8(13-6-2)9(12)10(3)4/h5,8H,1,6H2,2-4H3.
What are the key properties of 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide?
2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide has a molecular weight of 185.22 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide is sourced from PubChem (CID 141038560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).