ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate

C15H15NO2 — CID 14707767

IUPACethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate
SMILESCCOC(=O)/C=C(/N)c1cccc2ccccc12
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2,16H2,1H3/b14-10+
InChIKeyUGNBCZWWMCKICF-GXDHUFHOSA-N
MW241.29 g/mol
LogP2.70
Rot. Bonds3

About ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate

ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate (PubChem CID 14707767) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate
PubChem CID14707767
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate
SMILESCCOC(=O)/C=C(/N)c1cccc2ccccc12
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2,16H2,1H3/b14-10+
InChIKeyUGNBCZWWMCKICF-GXDHUFHOSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-amino-3-naphthalen-1-ylprop-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 (E)-3-amino-3-naphthalen-1-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate (CID 14707767) is ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate is CCOC(=O)/C=C(/N)c1cccc2ccccc12.
What is the InChIKey of ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate?
The InChIKey is UGNBCZWWMCKICF-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2,16H2,1H3/b14-10+.
What are the key properties of ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate?
ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 14707767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).