5-octoxy-1,3-dihydroindol-2-one

C16H23NO2 — CID 143867556

IUPAC5-octoxy-1,3-dihydroindol-2-one
SMILESCCCCCCCCOc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-7-10-19-14-8-9-15-13(11-14)12-16(18)17-15/h8-9,11H,2-7,10,12H2,1H3,(H,17,18)
InChIKeyGNBBCOADVSNFQG-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.92
Rot. Bonds8

About 5-octoxy-1,3-dihydroindol-2-one

5-octoxy-1,3-dihydroindol-2-one (PubChem CID 143867556) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5-octoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-octoxy-1,3-dihydroindol-2-one
PubChem CID143867556
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5-octoxy-1,3-dihydroindol-2-one
SMILESCCCCCCCCOc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-7-10-19-14-8-9-15-13(11-14)12-16(18)17-15/h8-9,11H,2-7,10,12H2,1H3,(H,17,18)
InChIKeyGNBBCOADVSNFQG-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 18197725
7-octoxy-4H-1,4-benzothiazin-3-one
CID 45257676
5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(1-bromodecyl)-1,3-dihydroindol-2-one
CID 65428909
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088

Frequently Asked Questions

What is the IUPAC name of 5-octoxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-octoxy-1,3-dihydroindol-2-one (CID 143867556) is 5-octoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-octoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-octoxy-1,3-dihydroindol-2-one is CCCCCCCCOc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-octoxy-1,3-dihydroindol-2-one?
The InChIKey is GNBBCOADVSNFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-5-6-7-10-19-14-8-9-15-13(11-14)12-16(18)17-15/h8-9,11H,2-7,10,12H2,1H3,(H,17,18).
What are the key properties of 5-octoxy-1,3-dihydroindol-2-one?
5-octoxy-1,3-dihydroindol-2-one has a molecular weight of 261.36 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 143867556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).