2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde

C15H15NOS — CID 174910477

IUPAC2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde
SMILESO=Cc1ccccc1C1CCCN1c1ccsc1
InChIInChI=1S/C15H15NOS/c17-10-12-4-1-2-5-14(12)15-6-3-8-16(15)13-7-9-18-11-13/h1-2,4-5,7,9-11,15H,3,6,8H2
InChIKeyJCNFRPNPPLZZLF-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.90
Rot. Bonds3

About 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde

2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde (PubChem CID 174910477) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde
PubChem CID174910477
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde
SMILESO=Cc1ccccc1C1CCCN1c1ccsc1
InChIInChI=1S/C15H15NOS/c17-10-12-4-1-2-5-14(12)15-6-3-8-16(15)13-7-9-18-11-13/h1-2,4-5,7,9-11,15H,3,6,8H2
InChIKeyJCNFRPNPPLZZLF-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde?
The IUPAC name of 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde (CID 174910477) is 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde.
What is the SMILES notation for 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde?
The canonical SMILES for 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde is O=Cc1ccccc1C1CCCN1c1ccsc1.
What is the InChIKey of 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde?
The InChIKey is JCNFRPNPPLZZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-10-12-4-1-2-5-14(12)15-6-3-8-16(15)13-7-9-18-11-13/h1-2,4-5,7,9-11,15H,3,6,8H2.
What are the key properties of 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde?
2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde has a molecular weight of 257.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-3-ylpyrrolidin-2-yl)benzaldehyde is sourced from PubChem (CID 174910477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).