3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide

C9H10BrNOS — CID 68657130

IUPAC3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccc(Br)s1
InChIInChI=1S/C9H10BrNOS/c1-11(2)9(12)6-4-7-3-5-8(10)13-7/h3-6H,1-2H3
InChIKeyCNVGVOOQFJAIOI-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.61
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide

3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide (PubChem CID 68657130) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide
PubChem CID68657130
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccc(Br)s1
InChIInChI=1S/C9H10BrNOS/c1-11(2)9(12)6-4-7-3-5-8(10)13-7/h3-6H,1-2H3
InChIKeyCNVGVOOQFJAIOI-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.61
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 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide (CID 68657130) is 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)C=Cc1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is CNVGVOOQFJAIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c1-11(2)9(12)6-4-7-3-5-8(10)13-7/h3-6H,1-2H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide?
3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 260.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 68657130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).