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

C16H18BrNO — CID 63491644

IUPAC(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
SMILESO=C(c1c[nH]c2ccc(Br)cc12)C1CCCCCC1
InChIInChI=1S/C16H18BrNO/c17-12-7-8-15-13(9-12)14(10-18-15)16(19)11-5-3-1-2-4-6-11/h7-11,18H,1-6H2
InChIKeyLBOXNUMOIZFXPP-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.08
Rot. Bonds2

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

(5-bromo-1H-indol-3-yl)-cycloheptylmethanone (PubChem CID 63491644) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-cycloheptylmethanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
PubChem CID63491644
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
SMILESO=C(c1c[nH]c2ccc(Br)cc12)C1CCCCCC1
InChIInChI=1S/C16H18BrNO/c17-12-7-8-15-13(9-12)14(10-18-15)16(19)11-5-3-1-2-4-6-11/h7-11,18H,1-6H2
InChIKeyLBOXNUMOIZFXPP-UHFFFAOYSA-N
XLogP5.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272790
3-(cycloheptanecarbonyl)-1H-indole-5-carbonitrile
CID 107919859
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
(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
(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 22967081
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclooctylmethanone
CID 106884881
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
CID 80649092

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-cycloheptylmethanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-cycloheptylmethanone (CID 63491644) is (5-bromo-1H-indol-3-yl)-cycloheptylmethanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-cycloheptylmethanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-cycloheptylmethanone is O=C(c1c[nH]c2ccc(Br)cc12)C1CCCCCC1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-cycloheptylmethanone?
The InChIKey is LBOXNUMOIZFXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-12-7-8-15-13(9-12)14(10-18-15)16(19)11-5-3-1-2-4-6-11/h7-11,18H,1-6H2.
What are the key properties of (5-bromo-1H-indol-3-yl)-cycloheptylmethanone?
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone has a molecular weight of 320.23 g/mol, XLogP of 5.08, 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)-cycloheptylmethanone is sourced from PubChem (CID 63491644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).