ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate

C15H15NO4 — CID 54348317

IUPACethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1c[nH]c2ccccc12)OC(C)=O
InChIInChI=1S/C15H15NO4/c1-3-19-15(18)14(20-10(2)17)8-11-9-16-13-7-5-4-6-12(11)13/h4-9,16H,3H2,1-2H3
InChIKeyUDWJYZBRXLJOQR-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.63
Rot. Bonds4

About ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate

ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate (PubChem CID 54348317) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate
PubChem CID54348317
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1c[nH]c2ccccc12)OC(C)=O
InChIInChI=1S/C15H15NO4/c1-3-19-15(18)14(20-10(2)17)8-11-9-16-13-7-5-4-6-12(11)13/h4-9,16H,3H2,1-2H3
InChIKeyUDWJYZBRXLJOQR-UHFFFAOYSA-N
XLogP2.63
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-acetyloxy-3-(1H-indol-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

Related Compounds

ethyl 2-ethoxy-3-(1H-indol-4-yl)prop-2-enoate
CID 69280562
ethyl acetate;3-methyl-1H-indole
CID 68993310
(Z)-2-dimethoxyphosphoryl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 6477471
diethyl (E)-2-hydroxy-3-(1H-indol-3-yl)but-2-enedioate
CID 177467670
1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate
CID 10732157
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
ethyl (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propanoate
CID 171245503
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethyl (E)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoate
CID 104503426
ethyl 4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]benzoate
CID 2368300
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate?
The IUPAC name of ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate (CID 54348317) is ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate is CCOC(=O)C(=Cc1c[nH]c2ccccc12)OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate?
The InChIKey is UDWJYZBRXLJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-19-15(18)14(20-10(2)17)8-11-9-16-13-7-5-4-6-12(11)13/h4-9,16H,3H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate?
ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate has a molecular weight of 273.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate is sourced from PubChem (CID 54348317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).