N-[(E)-1-thiophen-2-ylethylideneamino]propanamide

C9H12N2OS — CID 139207091

IUPACN-[(E)-1-thiophen-2-ylethylideneamino]propanamide
SMILESCCC(=O)N/N=C(\C)c1cccs1
InChIInChI=1S/C9H12N2OS/c1-3-9(12)11-10-7(2)8-5-4-6-13-8/h4-6H,3H2,1-2H3,(H,11,12)/b10-7+
InChIKeyPZZWVDBFEPCTDX-JXMROGBWSA-N
MW196.28 g/mol
LogP2.00
Rot. Bonds3

About N-[(E)-1-thiophen-2-ylethylideneamino]propanamide

N-[(E)-1-thiophen-2-ylethylideneamino]propanamide (PubChem CID 139207091) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is N-[(E)-1-thiophen-2-ylethylideneamino]propanamide.

Molecular Properties

Compound NameN-[(E)-1-thiophen-2-ylethylideneamino]propanamide
PubChem CID139207091
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC NameN-[(E)-1-thiophen-2-ylethylideneamino]propanamide
SMILESCCC(=O)N/N=C(\C)c1cccs1
InChIInChI=1S/C9H12N2OS/c1-3-9(12)11-10-7(2)8-5-4-6-13-8/h4-6H,3H2,1-2H3,(H,11,12)/b10-7+
InChIKeyPZZWVDBFEPCTDX-JXMROGBWSA-N
XLogP2.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-thiophen-2-ylethylideneamino]propanamide?
The IUPAC name of N-[(E)-1-thiophen-2-ylethylideneamino]propanamide (CID 139207091) is N-[(E)-1-thiophen-2-ylethylideneamino]propanamide.
What is the SMILES notation for N-[(E)-1-thiophen-2-ylethylideneamino]propanamide?
The canonical SMILES for N-[(E)-1-thiophen-2-ylethylideneamino]propanamide is CCC(=O)N/N=C(\C)c1cccs1.
What is the InChIKey of N-[(E)-1-thiophen-2-ylethylideneamino]propanamide?
The InChIKey is PZZWVDBFEPCTDX-JXMROGBWSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-3-9(12)11-10-7(2)8-5-4-6-13-8/h4-6H,3H2,1-2H3,(H,11,12)/b10-7+.
What are the key properties of N-[(E)-1-thiophen-2-ylethylideneamino]propanamide?
N-[(E)-1-thiophen-2-ylethylideneamino]propanamide has a molecular weight of 196.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-thiophen-2-ylethylideneamino]propanamide is sourced from PubChem (CID 139207091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).