methyl 1-benzoylindole-3-carboxylate

C17H13NO3 — CID 706990

IUPACmethyl 1-benzoylindole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H13NO3/c1-21-17(20)14-11-18(15-10-6-5-9-13(14)15)16(19)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyVHJJWTSUMOBJLK-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.12
Rot. Bonds2

About methyl 1-benzoylindole-3-carboxylate

methyl 1-benzoylindole-3-carboxylate (PubChem CID 706990) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 1-benzoylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzoylindole-3-carboxylate
PubChem CID706990
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namemethyl 1-benzoylindole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H13NO3/c1-21-17(20)14-11-18(15-10-6-5-9-13(14)15)16(19)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyVHJJWTSUMOBJLK-UHFFFAOYSA-N
XLogP3.12
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzoylindole-3-carboxylate?
The IUPAC name of methyl 1-benzoylindole-3-carboxylate (CID 706990) is methyl 1-benzoylindole-3-carboxylate.
What is the SMILES notation for methyl 1-benzoylindole-3-carboxylate?
The canonical SMILES for methyl 1-benzoylindole-3-carboxylate is COC(=O)c1cn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of methyl 1-benzoylindole-3-carboxylate?
The InChIKey is VHJJWTSUMOBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-17(20)14-11-18(15-10-6-5-9-13(14)15)16(19)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of methyl 1-benzoylindole-3-carboxylate?
methyl 1-benzoylindole-3-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzoylindole-3-carboxylate is sourced from PubChem (CID 706990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).