methyl 1-(3-methylbenzoyl)indole-3-carboxylate

C18H15NO3 — CID 3146123

IUPACmethyl 1-(3-methylbenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cccc(C)c2)c2ccccc12
InChIInChI=1S/C18H15NO3/c1-12-6-5-7-13(10-12)17(20)19-11-15(18(21)22-2)14-8-3-4-9-16(14)19/h3-11H,1-2H3
InChIKeyCPPYTFDIQUQYCF-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.42
Rot. Bonds2

About methyl 1-(3-methylbenzoyl)indole-3-carboxylate

methyl 1-(3-methylbenzoyl)indole-3-carboxylate (PubChem CID 3146123) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-(3-methylbenzoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylbenzoyl)indole-3-carboxylate
PubChem CID3146123
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 1-(3-methylbenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cccc(C)c2)c2ccccc12
InChIInChI=1S/C18H15NO3/c1-12-6-5-7-13(10-12)17(20)19-11-15(18(21)22-2)14-8-3-4-9-16(14)19/h3-11H,1-2H3
InChIKeyCPPYTFDIQUQYCF-UHFFFAOYSA-N
XLogP3.42
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylbenzoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(3-methylbenzoyl)indole-3-carboxylate (CID 3146123) is methyl 1-(3-methylbenzoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methylbenzoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(3-methylbenzoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2cccc(C)c2)c2ccccc12.
What is the InChIKey of methyl 1-(3-methylbenzoyl)indole-3-carboxylate?
The InChIKey is CPPYTFDIQUQYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-6-5-7-13(10-12)17(20)19-11-15(18(21)22-2)14-8-3-4-9-16(14)19/h3-11H,1-2H3.
What are the key properties of methyl 1-(3-methylbenzoyl)indole-3-carboxylate?
methyl 1-(3-methylbenzoyl)indole-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylbenzoyl)indole-3-carboxylate is sourced from PubChem (CID 3146123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).