1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid

Name: 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₅Cl₂NO₂S — CID 122036275

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid

SMILESO=C(O)C1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1

InChIInChI=1S/C16H15Cl2NO2S/c17-13-3-1-10(7-14(13)18)15-4-2-12(22-15)9-19-6-5-11(8-19)16(20)21/h1-4,7,11H,5-6,8-9H2,(H,20,21)

InChIKeyIZZSUBGMLIRWCP-UHFFFAOYSA-N

MW356.27 g/mol

LogP4.63

Rot. Bonds4

About 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid

1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 122036275) has the molecular formula C₁₆H₁₅Cl₂NO₂S and a molecular weight of 356.27 g/mol. Its IUPAC name is 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name	1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID	122036275
Molecular Formula	C₁₆H₁₅Cl₂NO₂S
Molecular Weight	356.27 g/mol
Exact Mass	355.02
IUPAC Name	1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILES	O=C(O)C1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1
InChI	InChI=1S/C16H15Cl2NO2S/c17-13-3-1-10(7-14(13)18)15-4-2-12(22-15)9-19-6-5-11(8-19)16(20)21/h1-4,7,11H,5-6,8-9H2,(H,20,21)
InChIKey	IZZSUBGMLIRWCP-UHFFFAOYSA-N
XLogP	4.63
TPSA	40.54 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.27
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?

The IUPAC name of 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 122036275) is 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1.

What is the InChIKey of 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?

The InChIKey is IZZSUBGMLIRWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-13-3-1-10(7-14(13)18)15-4-2-12(22-15)9-19-6-5-11(8-19)16(20)21/h1-4,7,11H,5-6,8-9H2,(H,20,21).

What are the key properties of 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid?

1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 356.27 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122036275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122036275 — identifiers, structure, computed properties (public domain)

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