methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate

C13H15NO3 — CID 86099334

IUPACmethyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate
SMILESCCCC1C(=O)Nc2cc(C(=O)OC)ccc21
InChIInChI=1S/C13H15NO3/c1-3-4-10-9-6-5-8(13(16)17-2)7-11(9)14-12(10)15/h5-7,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyHRSAJFRGUSABBJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.31
Rot. Bonds3

About methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate

methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate (PubChem CID 86099334) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate
PubChem CID86099334
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate
SMILESCCCC1C(=O)Nc2cc(C(=O)OC)ccc21
InChIInChI=1S/C13H15NO3/c1-3-4-10-9-6-5-8(13(16)17-2)7-11(9)14-12(10)15/h5-7,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyHRSAJFRGUSABBJ-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-oxo-2-propyl-4H-1,4-benzothiazine-6-carboxylate
CID 23134791
methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 86099354
methyl 3-[N-(4-carbamoylphenyl)-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91376806
methyl (2S)-2-benzyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate
CID 102354495
methyl 3-undecyl-2,3-dihydro-1H-indole-6-carboxylate
CID 12799984
methyl 3-[N-[4-[2-(ethylamino)ethyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91453626
iron;methyl 3-oxo-2-phenyl-2,4-dihydro-1H-quinoxaline-6-carboxylate
CID 157433888
methyl 3-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
CID 115098763
methyl 3-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
CID 115098831
methyl 3-[N-[4-[(dibenzylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90853966
methyl 3-[N-[4-[[hexyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90940071
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate?
The IUPAC name of methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate (CID 86099334) is methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate?
The canonical SMILES for methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate is CCCC1C(=O)Nc2cc(C(=O)OC)ccc21.
What is the InChIKey of methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate?
The InChIKey is HRSAJFRGUSABBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-4-10-9-6-5-8(13(16)17-2)7-11(9)14-12(10)15/h5-7,10H,3-4H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate?
methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 86099334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).