ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate

C15H15NO4 — CID 23245119

IUPACethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate
SMILESCCOC(=O)C(C)C1OC(=O)c2[nH]c3ccccc3c21
InChIInChI=1S/C15H15NO4/c1-3-19-14(17)8(2)13-11-9-6-4-5-7-10(9)16-12(11)15(18)20-13/h4-8,13,16H,3H2,1-2H3
InChIKeyZEIMZMZNLIPPPN-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.58
Rot. Bonds3

About ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate

ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate (PubChem CID 23245119) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate
PubChem CID23245119
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate
SMILESCCOC(=O)C(C)C1OC(=O)c2[nH]c3ccccc3c21
InChIInChI=1S/C15H15NO4/c1-3-19-14(17)8(2)13-11-9-6-4-5-7-10(9)16-12(11)15(18)20-13/h4-8,13,16H,3H2,1-2H3
InChIKeyZEIMZMZNLIPPPN-UHFFFAOYSA-N
XLogP2.58
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate
CID 10956302
diethyl 3-methyl-2-(4-oxo-1H-quinolin-2-yl)pentanedioate
CID 10617502
ethyl 1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 25223262
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate
CID 153402560
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 17340859
ethyl (1S,12S,15R)-9-azatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-15-carboxylate
CID 134194719
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate
CID 101448168
diethyl 2-(2-nitro-1H-indol-3-yl)propanedioate
CID 10969240

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate?
The IUPAC name of ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate (CID 23245119) is ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate?
The canonical SMILES for ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate is CCOC(=O)C(C)C1OC(=O)c2[nH]c3ccccc3c21.
What is the InChIKey of ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate?
The InChIKey is ZEIMZMZNLIPPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-19-14(17)8(2)13-11-9-6-4-5-7-10(9)16-12(11)15(18)20-13/h4-8,13,16H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate?
ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate has a molecular weight of 273.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate is sourced from PubChem (CID 23245119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).