3-ethyl-2-methoxypent-2-enamide

C8H15NO2 — CID 139570543

IUPAC3-ethyl-2-methoxypent-2-enamide
SMILESCCC(CC)=C(OC)C(N)=O
InChIInChI=1S/C8H15NO2/c1-4-6(5-2)7(11-3)8(9)10/h4-5H2,1-3H3,(H2,9,10)
InChIKeyOCUGNJCPQZCUDE-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.19
Rot. Bonds4

About 3-ethyl-2-methoxypent-2-enamide

3-ethyl-2-methoxypent-2-enamide (PubChem CID 139570543) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-ethyl-2-methoxypent-2-enamide.

Molecular Properties

Compound Name3-ethyl-2-methoxypent-2-enamide
PubChem CID139570543
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-ethyl-2-methoxypent-2-enamide
SMILESCCC(CC)=C(OC)C(N)=O
InChIInChI=1S/C8H15NO2/c1-4-6(5-2)7(11-3)8(9)10/h4-5H2,1-3H3,(H2,9,10)
InChIKeyOCUGNJCPQZCUDE-UHFFFAOYSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-ethyl-2-methoxypent-2-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 3-ethyl-2-methoxypent-2-enamide?
The IUPAC name of 3-ethyl-2-methoxypent-2-enamide (CID 139570543) is 3-ethyl-2-methoxypent-2-enamide.
What is the SMILES notation for 3-ethyl-2-methoxypent-2-enamide?
The canonical SMILES for 3-ethyl-2-methoxypent-2-enamide is CCC(CC)=C(OC)C(N)=O.
What is the InChIKey of 3-ethyl-2-methoxypent-2-enamide?
The InChIKey is OCUGNJCPQZCUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6(5-2)7(11-3)8(9)10/h4-5H2,1-3H3,(H2,9,10).
What are the key properties of 3-ethyl-2-methoxypent-2-enamide?
3-ethyl-2-methoxypent-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxypent-2-enamide is sourced from PubChem (CID 139570543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).