ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate

C15H15NO4 — CID 57176471

IUPACethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate
SMILESCCOC(=O)N1C(=O)C(CC)c2cc3ccoc3cc21
InChIInChI=1S/C15H15NO4/c1-3-10-11-7-9-5-6-20-13(9)8-12(11)16(14(10)17)15(18)19-4-2/h5-8,10H,3-4H2,1-2H3
InChIKeyBDRKMVHPTFWLAL-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.43
Rot. Bonds2

About ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate

ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate (PubChem CID 57176471) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate
PubChem CID57176471
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate
SMILESCCOC(=O)N1C(=O)C(CC)c2cc3ccoc3cc21
InChIInChI=1S/C15H15NO4/c1-3-10-11-7-9-5-6-20-13(9)8-12(11)16(14(10)17)15(18)19-4-2/h5-8,10H,3-4H2,1-2H3
InChIKeyBDRKMVHPTFWLAL-UHFFFAOYSA-N
XLogP3.43
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate?
The IUPAC name of ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate (CID 57176471) is ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate?
The canonical SMILES for ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate is CCOC(=O)N1C(=O)C(CC)c2cc3ccoc3cc21.
What is the InChIKey of ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate?
The InChIKey is BDRKMVHPTFWLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-10-11-7-9-5-6-20-13(9)8-12(11)16(14(10)17)15(18)19-4-2/h5-8,10H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate?
ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-6-oxo-5H-furo[3,2-f]indole-7-carboxylate is sourced from PubChem (CID 57176471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).