(Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one

C8H9NOS — CID 11542840

IUPAC(Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one
SMILESCN/C=C\C(=O)c1cccs1
InChIInChI=1S/C8H9NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-6,9H,1H3/b5-4-
InChIKeyKGKLCDPSRAKPME-PLNGDYQASA-N
MW167.23 g/mol
LogP1.66
Rot. Bonds3

About (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one

(Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 11542840) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID11542840
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name(Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one
SMILESCN/C=C\C(=O)c1cccs1
InChIInChI=1S/C8H9NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-6,9H,1H3/b5-4-
InChIKeyKGKLCDPSRAKPME-PLNGDYQASA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one (CID 11542840) is (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one is CN/C=C\C(=O)c1cccs1.
What is the InChIKey of (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is KGKLCDPSRAKPME-PLNGDYQASA-N. The full InChI is InChI=1S/C8H9NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-6,9H,1H3/b5-4-.
What are the key properties of (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one?
(Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 167.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 11542840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).