(E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide

C11H19NO — CID 145178749

IUPAC(E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide
SMILESC/C=C/C(/C=C/C)(CC)C(=O)NC
InChIInChI=1S/C11H19NO/c1-5-8-11(7-3,9-6-2)10(13)12-4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/b8-5+,9-6+
InChIKeyVDOJQGQNGSPMEJ-XVYDYJIPSA-N
MW181.28 g/mol
LogP2.28
Rot. Bonds4

About (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide

(E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide (PubChem CID 145178749) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide.

Molecular Properties

Compound Name(E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide
PubChem CID145178749
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide
SMILESC/C=C/C(/C=C/C)(CC)C(=O)NC
InChIInChI=1S/C11H19NO/c1-5-8-11(7-3,9-6-2)10(13)12-4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/b8-5+,9-6+
InChIKeyVDOJQGQNGSPMEJ-XVYDYJIPSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide?
The IUPAC name of (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide (CID 145178749) is (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide.
What is the SMILES notation for (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide?
The canonical SMILES for (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide is C/C=C/C(/C=C/C)(CC)C(=O)NC.
What is the InChIKey of (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide?
The InChIKey is VDOJQGQNGSPMEJ-XVYDYJIPSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-8-11(7-3,9-6-2)10(13)12-4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/b8-5+,9-6+.
What are the key properties of (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide?
(E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide is sourced from PubChem (CID 145178749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).