methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate

C15H19NO3 — CID 75523169

IUPACmethyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCc2c(C)cccc21
InChIInChI=1S/C15H19NO3/c1-11-5-3-6-13-12(11)9-10-16(13)14(17)7-4-8-15(18)19-2/h3,5-6H,4,7-10H2,1-2H3
InChIKeyXTQLSPLCTJDXTN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.23
Rot. Bonds4

About methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate

methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate (PubChem CID 75523169) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
PubChem CID75523169
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCc2c(C)cccc21
InChIInChI=1S/C15H19NO3/c1-11-5-3-6-13-12(11)9-10-16(13)14(17)7-4-8-15(18)19-2/h3,5-6H,4,7-10H2,1-2H3
InChIKeyXTQLSPLCTJDXTN-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate?
The IUPAC name of methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate (CID 75523169) is methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate?
The canonical SMILES for methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate is COC(=O)CCCC(=O)N1CCc2c(C)cccc21.
What is the InChIKey of methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate?
The InChIKey is XTQLSPLCTJDXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-5-3-6-13-12(11)9-10-16(13)14(17)7-4-8-15(18)19-2/h3,5-6H,4,7-10H2,1-2H3.
What are the key properties of methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate?
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate has a molecular weight of 261.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate is sourced from PubChem (CID 75523169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).