N,N-dimethyl-3-thiophen-2-ylprop-2-enamide

C9H11NOS — CID 68535214

IUPACN,N-dimethyl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1cccs1
InChIInChI=1S/C9H11NOS/c1-10(2)9(11)6-5-8-4-3-7-12-8/h3-7H,1-2H3
InChIKeyRSABJTCMFMRGNV-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.85
Rot. Bonds2

About N,N-dimethyl-3-thiophen-2-ylprop-2-enamide

N,N-dimethyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 68535214) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N,N-dimethyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN,N-dimethyl-3-thiophen-2-ylprop-2-enamide
PubChem CID68535214
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN,N-dimethyl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1cccs1
InChIInChI=1S/C9H11NOS/c1-10(2)9(11)6-5-8-4-3-7-12-8/h3-7H,1-2H3
InChIKeyRSABJTCMFMRGNV-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N,N-dimethyl-3-thiophen-2-ylprop-2-enamide (CID 68535214) is N,N-dimethyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N,N-dimethyl-3-thiophen-2-ylprop-2-enamide is CN(C)C(=O)C=Cc1cccs1.
What is the InChIKey of N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RSABJTCMFMRGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-10(2)9(11)6-5-8-4-3-7-12-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
N,N-dimethyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 181.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 68535214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).