3-propylimino-1-thiophen-2-ylpropan-1-one

C10H13NOS — CID 91565299

IUPAC3-propylimino-1-thiophen-2-ylpropan-1-one
SMILESCCC/N=C/CC(=O)c1cccs1
InChIInChI=1S/C10H13NOS/c1-2-6-11-7-5-9(12)10-4-3-8-13-10/h3-4,7-8H,2,5-6H2,1H3/b11-7+
InChIKeyZUTKHAJPMWDNTC-YRNVUSSQSA-N
MW195.29 g/mol
LogP2.80
Rot. Bonds5

About 3-propylimino-1-thiophen-2-ylpropan-1-one

3-propylimino-1-thiophen-2-ylpropan-1-one (PubChem CID 91565299) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-propylimino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-propylimino-1-thiophen-2-ylpropan-1-one
PubChem CID91565299
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-propylimino-1-thiophen-2-ylpropan-1-one
SMILESCCC/N=C/CC(=O)c1cccs1
InChIInChI=1S/C10H13NOS/c1-2-6-11-7-5-9(12)10-4-3-8-13-10/h3-4,7-8H,2,5-6H2,1H3/b11-7+
InChIKeyZUTKHAJPMWDNTC-YRNVUSSQSA-N
XLogP2.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propylimino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-propylimino-1-thiophen-2-ylpropan-1-one (CID 91565299) is 3-propylimino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-propylimino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-propylimino-1-thiophen-2-ylpropan-1-one is CCC/N=C/CC(=O)c1cccs1.
What is the InChIKey of 3-propylimino-1-thiophen-2-ylpropan-1-one?
The InChIKey is ZUTKHAJPMWDNTC-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-6-11-7-5-9(12)10-4-3-8-13-10/h3-4,7-8H,2,5-6H2,1H3/b11-7+.
What are the key properties of 3-propylimino-1-thiophen-2-ylpropan-1-one?
3-propylimino-1-thiophen-2-ylpropan-1-one has a molecular weight of 195.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylimino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 91565299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).