[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

C15H18BrNO — CID 82259192

IUPAC[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESCC1Cc2cc(CCBr)ccc2N1C(=O)C1CC1
InChIInChI=1S/C15H18BrNO/c1-10-8-13-9-11(6-7-16)2-5-14(13)17(10)15(18)12-3-4-12/h2,5,9-10,12H,3-4,6-8H2,1H3
InChIKeyWQLVOFYYZLCQAW-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.31
Rot. Bonds3

About [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone (PubChem CID 82259192) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
PubChem CID82259192
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESCC1Cc2cc(CCBr)ccc2N1C(=O)C1CC1
InChIInChI=1S/C15H18BrNO/c1-10-8-13-9-11(6-7-16)2-5-14(13)17(10)15(18)12-3-4-12/h2,5,9-10,12H,3-4,6-8H2,1H3
InChIKeyWQLVOFYYZLCQAW-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.31
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

1-[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259189
[5-(2-bromobutyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259316
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205
(4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone
CID 82260579
[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259947
cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
CID 20793215
2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259056
1-[2-[1-(4-butylcyclohexanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]ethyl]piperidine-3-carboxylic acid
CID 82260403
1-[5-(2-chloroethyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82260520
1-[5-(2-chloroethyl)-2-methyl-2,3-dihydroindol-1-yl]-2,2,2-trifluoroethanone
CID 82260529
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 133159414

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The IUPAC name of [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone (CID 82259192) is [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone is CC1Cc2cc(CCBr)ccc2N1C(=O)C1CC1.
What is the InChIKey of [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The InChIKey is WQLVOFYYZLCQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-10-8-13-9-11(6-7-16)2-5-14(13)17(10)15(18)12-3-4-12/h2,5,9-10,12H,3-4,6-8H2,1H3.
What are the key properties of [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone has a molecular weight of 308.22 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 82259192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).