(E)-3-(5-methylthiophen-2-yl)prop-2-enamide

C8H9NOS — CID 43236647

IUPAC(E)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(N)=O)s1
InChIInChI=1S/C8H9NOS/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3,(H2,9,10)/b5-4+
InChIKeyLRUXHHDESHRBMY-SNAWJCMRSA-N
MW167.23 g/mol
LogP1.56
Rot. Bonds2

About (E)-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 43236647) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is (E)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID43236647
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name(E)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(N)=O)s1
InChIInChI=1S/C8H9NOS/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3,(H2,9,10)/b5-4+
InChIKeyLRUXHHDESHRBMY-SNAWJCMRSA-N
XLogP1.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
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)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 43236647) is (E)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(N)=O)s1.
What is the InChIKey of (E)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is LRUXHHDESHRBMY-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3,(H2,9,10)/b5-4+.
What are the key properties of (E)-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 167.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 43236647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).