5-bromo-3-nonyl-1,3-dihydroindol-2-one

C17H24BrNO — CID 106987050

IUPAC5-bromo-3-nonyl-1,3-dihydroindol-2-one
SMILESCCCCCCCCCC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C17H24BrNO/c1-2-3-4-5-6-7-8-9-14-15-12-13(18)10-11-16(15)19-17(14)20/h10-12,14H,2-9H2,1H3,(H,19,20)
InChIKeySTMAVMWPINTTEG-UHFFFAOYSA-N
MW338.29 g/mol
LogP5.63
Rot. Bonds8

About 5-bromo-3-nonyl-1,3-dihydroindol-2-one

5-bromo-3-nonyl-1,3-dihydroindol-2-one (PubChem CID 106987050) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-bromo-3-nonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-nonyl-1,3-dihydroindol-2-one
PubChem CID106987050
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name5-bromo-3-nonyl-1,3-dihydroindol-2-one
SMILESCCCCCCCCCC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C17H24BrNO/c1-2-3-4-5-6-7-8-9-14-15-12-13(18)10-11-16(15)19-17(14)20/h10-12,14H,2-9H2,1H3,(H,19,20)
InChIKeySTMAVMWPINTTEG-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.29
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
3-heptyl-5-nitro-1,3-dihydroindol-2-one
CID 106987083
5-(difluoromethoxy)-3-heptyl-1,3-dihydroindol-2-one
CID 106987093
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
(3S)-5-bromo-3-[(2-butoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 40784158
5-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-1,3-dihydroindol-2-one
CID 174456109
5-tert-butyl-3-propyl-1,3-dihydroindol-2-one
CID 106986527
5-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196127
(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 7379394
5-bromo-3-(thiophen-3-ylmethyl)-1,3-dihydroindol-2-one
CID 23612659
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-nonyl-1,3-dihydroindol-2-one (CID 106987050) is 5-bromo-3-nonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-nonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-nonyl-1,3-dihydroindol-2-one is CCCCCCCCCC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-nonyl-1,3-dihydroindol-2-one?
The InChIKey is STMAVMWPINTTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-2-3-4-5-6-7-8-9-14-15-12-13(18)10-11-16(15)19-17(14)20/h10-12,14H,2-9H2,1H3,(H,19,20).
What are the key properties of 5-bromo-3-nonyl-1,3-dihydroindol-2-one?
5-bromo-3-nonyl-1,3-dihydroindol-2-one has a molecular weight of 338.29 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106987050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).