ethyl 1-(furan-2-carbonyl)indole-3-carboxylate

C16H13NO4 — CID 171982276

IUPACethyl 1-(furan-2-carbonyl)indole-3-carboxylate
SMILESCCOC(=O)c1cn(C(=O)c2ccco2)c2ccccc12
InChIInChI=1S/C16H13NO4/c1-2-20-16(19)12-10-17(13-7-4-3-6-11(12)13)15(18)14-8-5-9-21-14/h3-10H,2H2,1H3
InChIKeyKEQZOCCGQZSIPW-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.10
Rot. Bonds3

About ethyl 1-(furan-2-carbonyl)indole-3-carboxylate

ethyl 1-(furan-2-carbonyl)indole-3-carboxylate (PubChem CID 171982276) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is ethyl 1-(furan-2-carbonyl)indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-carbonyl)indole-3-carboxylate
PubChem CID171982276
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Nameethyl 1-(furan-2-carbonyl)indole-3-carboxylate
SMILESCCOC(=O)c1cn(C(=O)c2ccco2)c2ccccc12
InChIInChI=1S/C16H13NO4/c1-2-20-16(19)12-10-17(13-7-4-3-6-11(12)13)15(18)14-8-5-9-21-14/h3-10H,2H2,1H3
InChIKeyKEQZOCCGQZSIPW-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 703721
(2-ethoxycarbonyl-6-propanoylphenyl) furan-2-carboxylate
CID 19972749
methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate
CID 43917217
furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
CID 4127305
ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate
CID 135784615
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8932617
ethyl 5-oxo-2,6-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,7,9,11,13,15-heptaene-4-carboxylate
CID 165352312
ethyl 1-(2-nitrophenyl)indole-3-carboxylate
CID 102028903
ethane;ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 142188022
ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate
CID 11001565
ethyl 3-[(E)-1-ethoxy-3-hydroxy-1-oxobut-2-en-2-yl]indole-1-carboxylate
CID 54688340

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-carbonyl)indole-3-carboxylate?
The IUPAC name of ethyl 1-(furan-2-carbonyl)indole-3-carboxylate (CID 171982276) is ethyl 1-(furan-2-carbonyl)indole-3-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-carbonyl)indole-3-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-carbonyl)indole-3-carboxylate is CCOC(=O)c1cn(C(=O)c2ccco2)c2ccccc12.
What is the InChIKey of ethyl 1-(furan-2-carbonyl)indole-3-carboxylate?
The InChIKey is KEQZOCCGQZSIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-2-20-16(19)12-10-17(13-7-4-3-6-11(12)13)15(18)14-8-5-9-21-14/h3-10H,2H2,1H3.
What are the key properties of ethyl 1-(furan-2-carbonyl)indole-3-carboxylate?
ethyl 1-(furan-2-carbonyl)indole-3-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-carbonyl)indole-3-carboxylate is sourced from PubChem (CID 171982276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).