propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate

C15H19NO3 — CID 166631107

IUPACpropan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
SMILESCC(C)OC(=O)CCC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H19NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3
InChIKeyZXLGJWOUHKOVNN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds4

About propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate

propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate (PubChem CID 166631107) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
PubChem CID166631107
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namepropan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
SMILESCC(C)OC(=O)CCC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H19NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3
InChIKeyZXLGJWOUHKOVNN-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 667795
Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2902946
1-(2-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2968626
ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 2140509
Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 577835
1-(2-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911975
Methyl 2,3-dihydro-1H-indole-1-carboxylate
CID 690083
2,2-Difluoroethyl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
CID 156587332
4-(2,3-Dihydro-indol-1-yl)-4-oxo-butyric acid
CID 730429
1-(2-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 647180
3-(ethoxymethylene)-1-ethyl-1,3-dihydro-2H-indol-2-one
CID 5346946
1-(4-Butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2793698

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate?
The IUPAC name of propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate (CID 166631107) is propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate.
What is the SMILES notation for propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate?
The canonical SMILES for propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate is CC(C)OC(=O)CCC(=O)N1CCc2ccccc21.
What is the InChIKey of propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate?
The InChIKey is ZXLGJWOUHKOVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate?
propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate has a molecular weight of 261.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate is sourced from PubChem (CID 166631107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).