2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C13H17NOS — CID 51073290

IUPAC2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CC1C=CCC1
InChIInChI=1S/C13H17NOS/c1-14(9-12-6-7-16-10-12)13(15)8-11-4-2-3-5-11/h2,4,6-7,10-11H,3,5,8-9H2,1H3
InChIKeyMRTMJMHOAIVXHG-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.06
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 51073290) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID51073290
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CC1C=CCC1
InChIInChI=1S/C13H17NOS/c1-14(9-12-6-7-16-10-12)13(15)8-11-4-2-3-5-11/h2,4,6-7,10-11H,3,5,8-9H2,1H3
InChIKeyMRTMJMHOAIVXHG-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 51073290) is 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is MRTMJMHOAIVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-14(9-12-6-7-16-10-12)13(15)8-11-4-2-3-5-11/h2,4,6-7,10-11H,3,5,8-9H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 235.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 51073290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).