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'}

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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).