ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate

C9H9N3O3 — CID 135076539

IUPACethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccoc1)N=[N+]=[N-]
InChIInChI=1S/C9H9N3O3/c1-2-15-9(13)8(11-12-10)5-7-3-4-14-6-7/h3-6H,2H2,1H3/b8-5-
InChIKeyVPHQRFLWOMWUJP-YVMONPNESA-N
MW207.19 g/mol
LogP2.49
Rot. Bonds4

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

ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate (PubChem CID 135076539) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate
PubChem CID135076539
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Nameethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccoc1)N=[N+]=[N-]
InChIInChI=1S/C9H9N3O3/c1-2-15-9(13)8(11-12-10)5-7-3-4-14-6-7/h3-6H,2H2,1H3/b8-5-
InChIKeyVPHQRFLWOMWUJP-YVMONPNESA-N
XLogP2.49
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.49
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-(furan-3-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-(furan-3-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate (CID 135076539) is ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate is CCOC(=O)/C(=C/c1ccoc1)N=[N+]=[N-].
What is the InChIKey of ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate?
The InChIKey is VPHQRFLWOMWUJP-YVMONPNESA-N. The full InChI is InChI=1S/C9H9N3O3/c1-2-15-9(13)8(11-12-10)5-7-3-4-14-6-7/h3-6H,2H2,1H3/b8-5-.
What are the key properties of ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate?
ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate has a molecular weight of 207.19 g/mol, XLogP of 2.49, 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-(furan-3-yl)prop-2-enoate is sourced from PubChem (CID 135076539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).