2-[5-(2-aminophenyl)thiophen-2-yl]propanal

C13H13NOS — CID 175252130

IUPAC2-[5-(2-aminophenyl)thiophen-2-yl]propanal
SMILESCC(C=O)c1ccc(-c2ccccc2N)s1
InChIInChI=1S/C13H13NOS/c1-9(8-15)12-6-7-13(16-12)10-4-2-3-5-11(10)14/h2-9H,14H2,1H3
InChIKeyLNMXBZOCUXVZOC-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.30
Rot. Bonds3

About 2-[5-(2-aminophenyl)thiophen-2-yl]propanal

2-[5-(2-aminophenyl)thiophen-2-yl]propanal (PubChem CID 175252130) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)thiophen-2-yl]propanal.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)thiophen-2-yl]propanal
PubChem CID175252130
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-[5-(2-aminophenyl)thiophen-2-yl]propanal
SMILESCC(C=O)c1ccc(-c2ccccc2N)s1
InChIInChI=1S/C13H13NOS/c1-9(8-15)12-6-7-13(16-12)10-4-2-3-5-11(10)14/h2-9H,14H2,1H3
InChIKeyLNMXBZOCUXVZOC-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)thiophen-2-yl]propanal?
The IUPAC name of 2-[5-(2-aminophenyl)thiophen-2-yl]propanal (CID 175252130) is 2-[5-(2-aminophenyl)thiophen-2-yl]propanal.
What is the SMILES notation for 2-[5-(2-aminophenyl)thiophen-2-yl]propanal?
The canonical SMILES for 2-[5-(2-aminophenyl)thiophen-2-yl]propanal is CC(C=O)c1ccc(-c2ccccc2N)s1.
What is the InChIKey of 2-[5-(2-aminophenyl)thiophen-2-yl]propanal?
The InChIKey is LNMXBZOCUXVZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-9(8-15)12-6-7-13(16-12)10-4-2-3-5-11(10)14/h2-9H,14H2,1H3.
What are the key properties of 2-[5-(2-aminophenyl)thiophen-2-yl]propanal?
2-[5-(2-aminophenyl)thiophen-2-yl]propanal has a molecular weight of 231.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)thiophen-2-yl]propanal is sourced from PubChem (CID 175252130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).