N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide

C10H11NOS — CID 4173115

IUPACN-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
SMILESC=CCNC(=O)C=Cc1cccs1
InChIInChI=1S/C10H11NOS/c1-2-7-11-10(12)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2,(H,11,12)
InChIKeyPJNNUBXEFOGTLP-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.06
Rot. Bonds4

About N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide

N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 4173115) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
PubChem CID4173115
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC NameN-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
SMILESC=CCNC(=O)C=Cc1cccs1
InChIInChI=1S/C10H11NOS/c1-2-7-11-10(12)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2,(H,11,12)
InChIKeyPJNNUBXEFOGTLP-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide (CID 4173115) is N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide is C=CCNC(=O)C=Cc1cccs1.
What is the InChIKey of N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PJNNUBXEFOGTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-7-11-10(12)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2,(H,11,12).
What are the key properties of N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 193.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 4173115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).