2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide

C12H15NOS — CID 3056602

IUPAC2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide
SMILESC=CCC(CC=C)(C(N)=O)c1ccsc1
InChIInChI=1S/C12H15NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h3-5,8-9H,1-2,6-7H2,(H2,13,14)
InChIKeyMKLVUUFMLFVXJZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.62
Rot. Bonds6

About 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide

2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide (PubChem CID 3056602) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide.

Molecular Properties

Compound Name2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide
PubChem CID3056602
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide
SMILESC=CCC(CC=C)(C(N)=O)c1ccsc1
InChIInChI=1S/C12H15NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h3-5,8-9H,1-2,6-7H2,(H2,13,14)
InChIKeyMKLVUUFMLFVXJZ-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-prop-2-enyl-2-thiophen-3-ylpent-4-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 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide?
The IUPAC name of 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide (CID 3056602) is 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide.
What is the SMILES notation for 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide?
The canonical SMILES for 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide is C=CCC(CC=C)(C(N)=O)c1ccsc1.
What is the InChIKey of 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide?
The InChIKey is MKLVUUFMLFVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h3-5,8-9H,1-2,6-7H2,(H2,13,14).
What are the key properties of 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide?
2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide has a molecular weight of 221.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide is sourced from PubChem (CID 3056602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).