2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one

C15H16BrNO — CID 84644854

IUPAC2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
SMILESCc1[nH]c2cc(Br)ccc2c1CC1CCCC1=O
InChIInChI=1S/C15H16BrNO/c1-9-13(7-10-3-2-4-15(10)18)12-6-5-11(16)8-14(12)17-9/h5-6,8,10,17H,2-4,7H2,1H3
InChIKeyVSZXSQVXYPJIBQ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.15
Rot. Bonds2

About 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one

2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one (PubChem CID 84644854) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
PubChem CID84644854
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
SMILESCc1[nH]c2cc(Br)ccc2c1CC1CCCC1=O
InChIInChI=1S/C15H16BrNO/c1-9-13(7-10-3-2-4-15(10)18)12-6-5-11(16)8-14(12)17-9/h5-6,8,10,17H,2-4,7H2,1H3
InChIKeyVSZXSQVXYPJIBQ-UHFFFAOYSA-N
XLogP4.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84636641
2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84635790
1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 13384095
3-(6-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 28806785
2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84625328
5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84644930
2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one
CID 104799754
2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84632825
6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632406
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
2-(5-bromo-2-methylphenyl)cyclopentan-1-one
CID 130040732
6-bromo-2-methyl-3-(1-methylazetidin-3-yl)-1H-indole
CID 90693258

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one (CID 84644854) is 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one is Cc1[nH]c2cc(Br)ccc2c1CC1CCCC1=O.
What is the InChIKey of 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is VSZXSQVXYPJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-9-13(7-10-3-2-4-15(10)18)12-6-5-11(16)8-14(12)17-9/h5-6,8,10,17H,2-4,7H2,1H3.
What are the key properties of 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 306.20 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 84644854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).