5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one

C16H20BrNO — CID 61098748

IUPAC5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Br)CC3CCCC3)ccc21
InChIInChI=1S/C16H20BrNO/c1-18-15-7-6-12(9-13(15)10-16(18)19)14(17)8-11-4-2-3-5-11/h6-7,9,11,14H,2-5,8,10H2,1H3
InChIKeyDAWPGQPVTUXNSE-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.22
Rot. Bonds3

About 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one

5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one (PubChem CID 61098748) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one
PubChem CID61098748
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Br)CC3CCCC3)ccc21
InChIInChI=1S/C16H20BrNO/c1-18-15-7-6-12(9-13(15)10-16(18)19)14(17)8-11-4-2-3-5-11/h6-7,9,11,14H,2-5,8,10H2,1H3
InChIKeyDAWPGQPVTUXNSE-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104653
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
5-[bromo-(2,2-dimethylcyclopentyl)methyl]-1-methyl-3H-indol-2-one
CID 107182248
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[chloro(oxan-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 63014917

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one (CID 61098748) is 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(Br)CC3CCCC3)ccc21.
What is the InChIKey of 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one?
The InChIKey is DAWPGQPVTUXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-18-15-7-6-12(9-13(15)10-16(18)19)14(17)8-11-4-2-3-5-11/h6-7,9,11,14H,2-5,8,10H2,1H3.
What are the key properties of 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one?
5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one has a molecular weight of 322.25 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61098748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).