(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide

C9H11NOS — CID 23111612

IUPAC(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1cccs1
InChIInChI=1S/C9H11NOS/c1-10(2)9(11)6-5-8-4-3-7-12-8/h3-7H,1-2H3/b6-5+
InChIKeyRSABJTCMFMRGNV-AATRIKPKSA-N
MW181.26 g/mol
LogP1.85
Rot. Bonds2

About (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide

(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 23111612) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
PubChem CID23111612
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1cccs1
InChIInChI=1S/C9H11NOS/c1-10(2)9(11)6-5-8-4-3-7-12-8/h3-7H,1-2H3/b6-5+
InChIKeyRSABJTCMFMRGNV-AATRIKPKSA-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 (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide (CID 23111612) is (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide is CN(C)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RSABJTCMFMRGNV-AATRIKPKSA-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/b6-5+.
What are the key properties of (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
(E)-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 (E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 23111612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).