ethyl 3-benzoyl-1H-indole-5-carboxylate

C18H15NO3 — CID 10589798

IUPACethyl 3-benzoyl-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)13-8-9-16-14(10-13)15(11-19-16)17(20)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3
InChIKeyFFBUSHQUGZZVGH-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.58
Rot. Bonds4

About ethyl 3-benzoyl-1H-indole-5-carboxylate

ethyl 3-benzoyl-1H-indole-5-carboxylate (PubChem CID 10589798) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 3-benzoyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-1H-indole-5-carboxylate
PubChem CID10589798
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 3-benzoyl-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)13-8-9-16-14(10-13)15(11-19-16)17(20)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3
InChIKeyFFBUSHQUGZZVGH-UHFFFAOYSA-N
XLogP3.58
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-propanoyl-1H-indole-5-carboxylate
CID 170857376
ethyl 3-(3-methylbut-2-enoyl)-1H-indole-5-carboxylate
CID 170857381
dibenzyl 1H-indole-3,5-dicarboxylate
CID 11617934
ethyl 3-methylsulfinyl-1H-indole-5-carboxylate
CID 70624739
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114
ethyl 3-benzoyl-1-ethylindole-5-carboxylate
CID 170857423
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
6-O-ethyl 2-O-methyl 3-benzoyl-4-oxo-1H-quinoline-2,6-dicarboxylate
CID 1208018
ethyl 6-benzoyl-1H-indole-4-carboxylate
CID 135007756

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-1H-indole-5-carboxylate?
The IUPAC name of ethyl 3-benzoyl-1H-indole-5-carboxylate (CID 10589798) is ethyl 3-benzoyl-1H-indole-5-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-1H-indole-5-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-1H-indole-5-carboxylate is CCOC(=O)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1.
What is the InChIKey of ethyl 3-benzoyl-1H-indole-5-carboxylate?
The InChIKey is FFBUSHQUGZZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-22-18(21)13-8-9-16-14(10-13)15(11-19-16)17(20)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3.
What are the key properties of ethyl 3-benzoyl-1H-indole-5-carboxylate?
ethyl 3-benzoyl-1H-indole-5-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-1H-indole-5-carboxylate is sourced from PubChem (CID 10589798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).