ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate

C13H11N3O3 — CID 11780154

IUPACethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1cc2ccccc2o1)N=[N+]=[N-]
InChIInChI=1S/C13H11N3O3/c1-2-18-13(17)11(15-16-14)8-10-7-9-5-3-4-6-12(9)19-10/h3-8H,2H2,1H3/b11-8-
InChIKeyPIMHZEVZVYYGKT-FLIBITNWSA-N
MW257.25 g/mol
LogP3.65
Rot. Bonds4

About ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate

ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate (PubChem CID 11780154) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate
PubChem CID11780154
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Nameethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1cc2ccccc2o1)N=[N+]=[N-]
InChIInChI=1S/C13H11N3O3/c1-2-18-13(17)11(15-16-14)8-10-7-9-5-3-4-6-12(9)19-10/h3-8H,2H2,1H3/b11-8-
InChIKeyPIMHZEVZVYYGKT-FLIBITNWSA-N
XLogP3.65
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate (CID 11780154) is ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate is CCOC(=O)/C(=C/c1cc2ccccc2o1)N=[N+]=[N-].
What is the InChIKey of ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate?
The InChIKey is PIMHZEVZVYYGKT-FLIBITNWSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-2-18-13(17)11(15-16-14)8-10-7-9-5-3-4-6-12(9)19-10/h3-8H,2H2,1H3/b11-8-.
What are the key properties of ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate?
ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate has a molecular weight of 257.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-azido-3-(1-benzofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 11780154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).