5-(1-bromodecyl)-1,3-dihydroindol-2-one

C18H26BrNO — CID 65428909

IUPAC5-(1-bromodecyl)-1,3-dihydroindol-2-one
SMILESCCCCCCCCCC(Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H26BrNO/c1-2-3-4-5-6-7-8-9-16(19)14-10-11-17-15(12-14)13-18(21)20-17/h10-12,16H,2-9,13H2,1H3,(H,20,21)
InChIKeyNWHFQVLEPRKIKP-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.76
Rot. Bonds9

About 5-(1-bromodecyl)-1,3-dihydroindol-2-one

5-(1-bromodecyl)-1,3-dihydroindol-2-one (PubChem CID 65428909) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 5-(1-bromodecyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-bromodecyl)-1,3-dihydroindol-2-one
PubChem CID65428909
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name5-(1-bromodecyl)-1,3-dihydroindol-2-one
SMILESCCCCCCCCCC(Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H26BrNO/c1-2-3-4-5-6-7-8-9-16(19)14-10-11-17-15(12-14)13-18(21)20-17/h10-12,16H,2-9,13H2,1H3,(H,20,21)
InChIKeyNWHFQVLEPRKIKP-UHFFFAOYSA-N
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-bromononyl)-6-chloro-1,3-dihydroindol-2-one
CID 65428912
5-(1-bromoheptyl)-6-chloro-1,3-dihydroindol-2-one
CID 114753608
5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
CID 63443114
5-[2-ethyl-1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43484784
7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114753375
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-(1-bromononyl)-2,2-dimethyl-3H-1-benzofuran
CID 65427934
5-octoxy-1,3-dihydroindol-2-one
CID 143867556
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-(1-bromopentyl)-3,3-dimethyl-1H-indol-2-one
CID 80501207
5-butyl-1,3-dihydroindol-2-one
CID 10219749
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromodecyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-bromodecyl)-1,3-dihydroindol-2-one (CID 65428909) is 5-(1-bromodecyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-bromodecyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-bromodecyl)-1,3-dihydroindol-2-one is CCCCCCCCCC(Br)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-bromodecyl)-1,3-dihydroindol-2-one?
The InChIKey is NWHFQVLEPRKIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-2-3-4-5-6-7-8-9-16(19)14-10-11-17-15(12-14)13-18(21)20-17/h10-12,16H,2-9,13H2,1H3,(H,20,21).
What are the key properties of 5-(1-bromodecyl)-1,3-dihydroindol-2-one?
5-(1-bromodecyl)-1,3-dihydroindol-2-one has a molecular weight of 352.32 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromodecyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 65428909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).