1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione

C17H20BrNO2 — CID 65001743

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(CC1(CBr)CCCC1)C(=O)C2=O
InChIInChI=1S/C17H20BrNO2/c1-11-5-6-13-14(12(11)2)19(16(21)15(13)20)10-17(9-18)7-3-4-8-17/h5-6H,3-4,7-10H2,1-2H3
InChIKeyXRUIUQVQRYFZFH-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.79
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione

1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione (PubChem CID 65001743) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione
PubChem CID65001743
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(CC1(CBr)CCCC1)C(=O)C2=O
InChIInChI=1S/C17H20BrNO2/c1-11-5-6-13-14(12(11)2)19(16(21)15(13)20)10-17(9-18)7-3-4-8-17/h5-6H,3-4,7-10H2,1-2H3
InChIKeyXRUIUQVQRYFZFH-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione
CID 65007464
1-[[1-(bromomethyl)cyclopentyl]methyl]-5,6-difluoroindole-2,3-dione
CID 80727623
1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione
CID 65008566
1-(3-bromo-2,2-dimethylpropyl)-6,7-dimethylindole-2,3-dione
CID 64994780
1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione
CID 61355078
5-bromo-1-[[1-(bromomethyl)cyclobutyl]methyl]indole-2,3-dione
CID 65007404
6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione
CID 61355578
5-bromo-1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoroindole-2,3-dione
CID 65007568
6,7-dimethyl-1-prop-2-enylindole-2,3-dione
CID 61355575
1-(3-chloropropyl)-6,7-dimethylindole-2,3-dione
CID 20502556
6,7-dimethyl-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 61356078
1-heptyl-6,7-dimethylindole-2,3-dione
CID 61355246

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione (CID 65001743) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione is Cc1ccc2c(c1C)N(CC1(CBr)CCCC1)C(=O)C2=O.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione?
The InChIKey is XRUIUQVQRYFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-5-6-13-14(12(11)2)19(16(21)15(13)20)10-17(9-18)7-3-4-8-17/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione?
1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione has a molecular weight of 350.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione is sourced from PubChem (CID 65001743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).