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

C15H19NO3 — CID 75485040

IUPACmethyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCc2cc(C)ccc21
InChIInChI=1S/C15H19NO3/c1-11-6-7-13-12(10-11)8-9-16(13)14(17)4-3-5-15(18)19-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyJFBKQTUAOXWXAJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.23
Rot. Bonds4

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

methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate (PubChem CID 75485040) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
PubChem CID75485040
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCc2cc(C)ccc21
InChIInChI=1S/C15H19NO3/c1-11-6-7-13-12(10-11)8-9-16(13)14(17)4-3-5-15(18)19-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyJFBKQTUAOXWXAJ-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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Related Compounds

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75523169
[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
CID 60598985
methyl 9-(6-nitro-2,3-dihydroindol-1-yl)-9-oxononanoate
CID 171647830
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 3453924
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 4120901
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
6-amino-4,4-dimethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 65293253

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate?
The IUPAC name of methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate (CID 75485040) is methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate?
The canonical SMILES for methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate is COC(=O)CCCC(=O)N1CCc2cc(C)ccc21.
What is the InChIKey of methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate?
The InChIKey is JFBKQTUAOXWXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-6-7-13-12(10-11)8-9-16(13)14(17)4-3-5-15(18)19-2/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate?
methyl 5-(5-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-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate is sourced from PubChem (CID 75485040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).