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

C15H17NO4 — CID 82347038

IUPACmethyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H17NO4/c1-10(17)16-8-7-11-9-12(3-4-13(11)16)14(18)5-6-15(19)20-2/h3-4,9H,5-8H2,1-2H3
InChIKeyUJSCEBOSIBFVAL-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.73
Rot. Bonds4

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

methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate (PubChem CID 82347038) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
PubChem CID82347038
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H17NO4/c1-10(17)16-8-7-11-9-12(3-4-13(11)16)14(18)5-6-15(19)20-2/h3-4,9H,5-8H2,1-2H3
InChIKeyUJSCEBOSIBFVAL-UHFFFAOYSA-N
XLogP1.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347199
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 46644319
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
CID 94724136
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519389
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519396
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352066

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate?
The IUPAC name of methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate (CID 82347038) is methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate is COC(=O)CCC(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate?
The InChIKey is UJSCEBOSIBFVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(17)16-8-7-11-9-12(3-4-13(11)16)14(18)5-6-15(19)20-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate?
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate has a molecular weight of 275.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate is sourced from PubChem (CID 82347038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).