[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C₁₁H₁₄ClNOS — CID 114801038

About [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 114801038) has the molecular formula C₁₁H₁₄ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
• PubChem CID: 114801038
• Molecular Formula: C₁₁H₁₄ClNOS
• Molecular Weight: 243.76 g/mol
• Exact Mass: 243.05
• IUPAC Name: [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
• SMILES: O=C(c1cccs1)N1CCC(CCCl)C1
• InChI: InChI=1S/C11H14ClNOS/c12-5-3-9-4-6-13(8-9)11(14)10-2-1-7-15-10/h1-2,7,9H,3-6,8H2
• InChIKey: RVPXUXPIULVWAF-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.76
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?

The IUPAC name of [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 114801038) is [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

What is the SMILES notation for [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?

The canonical SMILES for [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(CCCl)C1.

What is the InChIKey of [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?

The InChIKey is RVPXUXPIULVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-5-3-9-4-6-13(8-9)11(14)10-2-1-7-15-10/h1-2,7,9H,3-6,8H2.

What are the key properties of [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?

[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 243.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 114801038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114801038 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.