(5-bromo-1H-indol-3-yl)-cyclopentylmethanone

C14H14BrNO — CID 43162090

IUPAC(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
SMILESO=C(c1c[nH]c2ccc(Br)cc12)C1CCCC1
InChIInChI=1S/C14H14BrNO/c15-10-5-6-13-11(7-10)12(8-16-13)14(17)9-3-1-2-4-9/h5-9,16H,1-4H2
InChIKeyXJXCJEXXTXCMJZ-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.30
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-cyclopentylmethanone

(5-bromo-1H-indol-3-yl)-cyclopentylmethanone (PubChem CID 43162090) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
PubChem CID43162090
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
SMILESO=C(c1c[nH]c2ccc(Br)cc12)C1CCCC1
InChIInChI=1S/C14H14BrNO/c15-10-5-6-13-11(7-10)12(8-16-13)14(17)9-3-1-2-4-9/h5-9,16H,1-4H2
InChIKeyXJXCJEXXTXCMJZ-UHFFFAOYSA-N
XLogP4.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272790
(5-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176382
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
3-(cycloheptanecarbonyl)-1H-indole-5-carbonitrile
CID 107919859
(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 22967081
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
2-(5-bromo-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391844
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
CID 25362200

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-cyclopentylmethanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-cyclopentylmethanone (CID 43162090) is (5-bromo-1H-indol-3-yl)-cyclopentylmethanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-cyclopentylmethanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-cyclopentylmethanone is O=C(c1c[nH]c2ccc(Br)cc12)C1CCCC1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-cyclopentylmethanone?
The InChIKey is XJXCJEXXTXCMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-10-5-6-13-11(7-10)12(8-16-13)14(17)9-3-1-2-4-9/h5-9,16H,1-4H2.
What are the key properties of (5-bromo-1H-indol-3-yl)-cyclopentylmethanone?
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone has a molecular weight of 292.18 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-cyclopentylmethanone is sourced from PubChem (CID 43162090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).