2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide

C11H8N4O2S — CID 14910447

IUPAC2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccsc1Cn1cccc1C=O
InChIInChI=1S/C11H8N4O2S/c12-14-13-11(17)9-3-5-18-10(9)6-15-4-1-2-8(15)7-16/h1-5,7H,6H2
InChIKeyJYHGYSHFGSAGOU-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.86
Rot. Bonds4

About 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide

2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide (PubChem CID 14910447) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide.

Molecular Properties

Compound Name2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide
PubChem CID14910447
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccsc1Cn1cccc1C=O
InChIInChI=1S/C11H8N4O2S/c12-14-13-11(17)9-3-5-18-10(9)6-15-4-1-2-8(15)7-16/h1-5,7H,6H2
InChIKeyJYHGYSHFGSAGOU-UHFFFAOYSA-N
XLogP2.86
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide?
The IUPAC name of 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide (CID 14910447) is 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide.
What is the SMILES notation for 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide?
The canonical SMILES for 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide is [N-]=[N+]=NC(=O)c1ccsc1Cn1cccc1C=O.
What is the InChIKey of 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide?
The InChIKey is JYHGYSHFGSAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c12-14-13-11(17)9-3-5-18-10(9)6-15-4-1-2-8(15)7-16/h1-5,7H,6H2.
What are the key properties of 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide?
2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide has a molecular weight of 260.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide is sourced from PubChem (CID 14910447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).