5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran

C13H13N3O — CID 134393274

IUPAC5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran
SMILESCC(N=[N+]=[N-])c1ccc2oc(C3CC3)cc2c1
InChIInChI=1S/C13H13N3O/c1-8(15-16-14)10-4-5-12-11(6-10)7-13(17-12)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeySGSGAXVDSCUSMU-UHFFFAOYSA-N
MW227.27 g/mol
LogP4.68
Rot. Bonds3

About 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran

5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran (PubChem CID 134393274) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran.

Molecular Properties

Compound Name5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran
PubChem CID134393274
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran
SMILESCC(N=[N+]=[N-])c1ccc2oc(C3CC3)cc2c1
InChIInChI=1S/C13H13N3O/c1-8(15-16-14)10-4-5-12-11(6-10)7-13(17-12)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeySGSGAXVDSCUSMU-UHFFFAOYSA-N
XLogP4.68
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 54.68
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran?
The IUPAC name of 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran (CID 134393274) is 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran.
What is the SMILES notation for 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran?
The canonical SMILES for 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran is CC(N=[N+]=[N-])c1ccc2oc(C3CC3)cc2c1.
What is the InChIKey of 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran?
The InChIKey is SGSGAXVDSCUSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8(15-16-14)10-4-5-12-11(6-10)7-13(17-12)9-2-3-9/h4-9H,2-3H2,1H3.
What are the key properties of 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran?
5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran has a molecular weight of 227.27 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran is sourced from PubChem (CID 134393274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).