N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide

C9H11NOS — CID 43616535

IUPACN-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C9H11NOS/c1-3-9(11)10(2)6-8-4-5-12-7-8/h3-5,7H,1,6H2,2H3
InChIKeyUUUJINLSERTVTA-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.89
Rot. Bonds3

About N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide

N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide (PubChem CID 43616535) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
PubChem CID43616535
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C9H11NOS/c1-3-9(11)10(2)6-8-4-5-12-7-8/h3-5,7H,1,6H2,2H3
InChIKeyUUUJINLSERTVTA-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.89
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-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide (CID 43616535) is N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide is C=CC(=O)N(C)Cc1ccsc1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide?
The InChIKey is UUUJINLSERTVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-3-9(11)10(2)6-8-4-5-12-7-8/h3-5,7H,1,6H2,2H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide?
N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide has a molecular weight of 181.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 43616535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).