ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate

C15H17NO3 — CID 53309301

IUPACethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc2[nH]ccc2c1)OCC
InChIInChI=1S/C15H17NO3/c1-3-18-14(15(17)19-4-2)10-11-5-6-13-12(9-11)7-8-16-13/h5-10,16H,3-4H2,1-2H3/b14-10-
InChIKeyAMTDKHHMBSNIRE-UVTDQMKNSA-N
MW259.30 g/mol
LogP3.11
Rot. Bonds5

About ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate

ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate (PubChem CID 53309301) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate
PubChem CID53309301
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc2[nH]ccc2c1)OCC
InChIInChI=1S/C15H17NO3/c1-3-18-14(15(17)19-4-2)10-11-5-6-13-12(9-11)7-8-16-13/h5-10,16H,3-4H2,1-2H3/b14-10-
InChIKeyAMTDKHHMBSNIRE-UVTDQMKNSA-N
XLogP3.11
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-5-yl)-2-(2,2,2-trifluoroethoxy)prop-2-enoic acid
CID 68571272
ethyl 2-ethoxy-3-(1H-indol-4-yl)prop-2-enoate
CID 69280562
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
5-(2,3-diethoxy-3-oxoprop-1-enyl)-2-methoxybenzoic acid
CID 91112068
ethyl 4-(1H-indol-5-yl)but-3-ynoate
CID 170471402
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 70545359
ethyl (3R)-3-amino-2,2-difluoro-3-(1H-indol-5-yl)propanoate
CID 171241453
2-(1H-indol-5-ylmethylidene)propanedinitrile
CID 5328751
ethyl (Z)-3-[2-(naphthalen-2-ylmethyl)-1H-indol-5-yl]-2-(2,2,2-trifluoroethoxy)prop-2-enoate
CID 53309727
diethyl 4-(1H-indol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 50901650
(E)-3-(1H-indol-5-yl)-2-methylsulfonylprop-2-enenitrile
CID 119093630

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate (CID 53309301) is ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate is CCOC(=O)/C(=C/c1ccc2[nH]ccc2c1)OCC.
What is the InChIKey of ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate?
The InChIKey is AMTDKHHMBSNIRE-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-18-14(15(17)19-4-2)10-11-5-6-13-12(9-11)7-8-16-13/h5-10,16H,3-4H2,1-2H3/b14-10-.
What are the key properties of ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate?
ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate has a molecular weight of 259.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-ethoxy-3-(1H-indol-5-yl)prop-2-enoate is sourced from PubChem (CID 53309301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).