5-(4-oxopentyl)-1,3-dihydroindol-2-one

C13H15NO2 — CID 116927752

IUPAC5-(4-oxopentyl)-1,3-dihydroindol-2-one
SMILESCC(=O)CCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15NO2/c1-9(15)3-2-4-10-5-6-12-11(7-10)8-13(16)14-12/h5-7H,2-4,8H2,1H3,(H,14,16)
InChIKeyDNPKUGVPLMMKSL-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.09
Rot. Bonds4

About 5-(4-oxopentyl)-1,3-dihydroindol-2-one

5-(4-oxopentyl)-1,3-dihydroindol-2-one (PubChem CID 116927752) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(4-oxopentyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-oxopentyl)-1,3-dihydroindol-2-one
PubChem CID116927752
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-(4-oxopentyl)-1,3-dihydroindol-2-one
SMILESCC(=O)CCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15NO2/c1-9(15)3-2-4-10-5-6-12-11(7-10)8-13(16)14-12/h5-7H,2-4,8H2,1H3,(H,14,16)
InChIKeyDNPKUGVPLMMKSL-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632
5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124620564
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
CID 95443741
N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
CID 115195045
5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one
CID 154865923
N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119552860
(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125134746

Frequently Asked Questions

What is the IUPAC name of 5-(4-oxopentyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-oxopentyl)-1,3-dihydroindol-2-one (CID 116927752) is 5-(4-oxopentyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-oxopentyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-oxopentyl)-1,3-dihydroindol-2-one is CC(=O)CCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(4-oxopentyl)-1,3-dihydroindol-2-one?
The InChIKey is DNPKUGVPLMMKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(15)3-2-4-10-5-6-12-11(7-10)8-13(16)14-12/h5-7H,2-4,8H2,1H3,(H,14,16).
What are the key properties of 5-(4-oxopentyl)-1,3-dihydroindol-2-one?
5-(4-oxopentyl)-1,3-dihydroindol-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxopentyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116927752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).