3-thiophen-2-ylprop-2-enoyl azide

C7H5N3OS — CID 2779589

IUPAC3-thiophen-2-ylprop-2-enoyl azide
SMILES[N-]=[N+]=NC(=O)C=Cc1cccs1
InChIInChI=1S/C7H5N3OS/c8-10-9-7(11)4-3-6-2-1-5-12-6/h1-5H
InChIKeyRKEBIPZECWLWHD-UHFFFAOYSA-N
MW179.20 g/mol
LogP2.60
Rot. Bonds2

About 3-thiophen-2-ylprop-2-enoyl azide

3-thiophen-2-ylprop-2-enoyl azide (PubChem CID 2779589) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-thiophen-2-ylprop-2-enoyl azide.

Molecular Properties

Compound Name3-thiophen-2-ylprop-2-enoyl azide
PubChem CID2779589
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name3-thiophen-2-ylprop-2-enoyl azide
SMILES[N-]=[N+]=NC(=O)C=Cc1cccs1
InChIInChI=1S/C7H5N3OS/c8-10-9-7(11)4-3-6-2-1-5-12-6/h1-5H
InChIKeyRKEBIPZECWLWHD-UHFFFAOYSA-N
XLogP2.60
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylprop-2-enoyl azide?
The IUPAC name of 3-thiophen-2-ylprop-2-enoyl azide (CID 2779589) is 3-thiophen-2-ylprop-2-enoyl azide.
What is the SMILES notation for 3-thiophen-2-ylprop-2-enoyl azide?
The canonical SMILES for 3-thiophen-2-ylprop-2-enoyl azide is [N-]=[N+]=NC(=O)C=Cc1cccs1.
What is the InChIKey of 3-thiophen-2-ylprop-2-enoyl azide?
The InChIKey is RKEBIPZECWLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS/c8-10-9-7(11)4-3-6-2-1-5-12-6/h1-5H.
What are the key properties of 3-thiophen-2-ylprop-2-enoyl azide?
3-thiophen-2-ylprop-2-enoyl azide has a molecular weight of 179.20 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylprop-2-enoyl azide is sourced from PubChem (CID 2779589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).