methyl 1-(4-oxopentanoyl)indole-3-carboxylate

C15H15NO4 — CID 46243075

IUPACmethyl 1-(4-oxopentanoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)CCC(C)=O)c2ccccc12
InChIInChI=1S/C15H15NO4/c1-10(17)7-8-14(18)16-9-12(15(19)20-2)11-5-3-4-6-13(11)16/h3-6,9H,7-8H2,1-2H3
InChIKeyIYQYHLWRVLCKIX-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.44
Rot. Bonds4

About methyl 1-(4-oxopentanoyl)indole-3-carboxylate

methyl 1-(4-oxopentanoyl)indole-3-carboxylate (PubChem CID 46243075) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 1-(4-oxopentanoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-oxopentanoyl)indole-3-carboxylate
PubChem CID46243075
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 1-(4-oxopentanoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)CCC(C)=O)c2ccccc12
InChIInChI=1S/C15H15NO4/c1-10(17)7-8-14(18)16-9-12(15(19)20-2)11-5-3-4-6-13(11)16/h3-6,9H,7-8H2,1-2H3
InChIKeyIYQYHLWRVLCKIX-UHFFFAOYSA-N
XLogP2.44
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
methyl 1-[2-(4-bromophenoxy)acetyl]indole-3-carboxylate
CID 1370349
methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate
CID 703715
methyl 1-[(E)-1-bromo-2-iodo-2-phenylethenyl]indole-3-carboxylate
CID 102359655
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
prop-2-enyl 1-[4,7-dioxo-7-(3-prop-2-enoxycarbonylindol-1-yl)heptanoyl]indole-3-carboxylate
CID 102585403
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 703721
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-oxopentanoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(4-oxopentanoyl)indole-3-carboxylate (CID 46243075) is methyl 1-(4-oxopentanoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-oxopentanoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(4-oxopentanoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)CCC(C)=O)c2ccccc12.
What is the InChIKey of methyl 1-(4-oxopentanoyl)indole-3-carboxylate?
The InChIKey is IYQYHLWRVLCKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10(17)7-8-14(18)16-9-12(15(19)20-2)11-5-3-4-6-13(11)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 1-(4-oxopentanoyl)indole-3-carboxylate?
methyl 1-(4-oxopentanoyl)indole-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-oxopentanoyl)indole-3-carboxylate is sourced from PubChem (CID 46243075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).