1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione

C14H13F2NO2 — CID 61356320

IUPAC1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC2CCCC2)c2c(F)cc(F)cc21
InChIInChI=1S/C14H13F2NO2/c15-9-5-10-12(11(16)6-9)17(14(19)13(10)18)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyMHDQCZOSFOYGCO-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.68
Rot. Bonds2

About 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione

1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione (PubChem CID 61356320) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione
PubChem CID61356320
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC2CCCC2)c2c(F)cc(F)cc21
InChIInChI=1S/C14H13F2NO2/c15-9-5-10-12(11(16)6-9)17(14(19)13(10)18)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyMHDQCZOSFOYGCO-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclopentylmethyl)-5,7-difluoroindole-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-(cyclopentylmethyl)-7-fluoroindole-2,3-dione
CID 58101411
1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione
CID 61355078
5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356798
1-(4-chlorobut-2-enyl)-5,7-difluoroindole-2,3-dione
CID 77051100
1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione
CID 79172649
1-(3-bromo-2-methylpropyl)-5,7-difluoroindole-2,3-dione
CID 64996124
5,7-difluoro-1-(4-methoxybutyl)indole-2,3-dione
CID 113436940
1-[2-(bromomethyl)-2-ethylbutyl]-5,7-difluoroindole-2,3-dione
CID 64998675
7-bromo-5-fluoro-1-[(5-methyloxolan-2-yl)methyl]indole-2,3-dione
CID 103135050
5,7-difluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione
CID 61356486
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 61355974

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione?
The IUPAC name of 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione (CID 61356320) is 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione.
What is the SMILES notation for 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione?
The canonical SMILES for 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione is O=C1C(=O)N(CC2CCCC2)c2c(F)cc(F)cc21.
What is the InChIKey of 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione?
The InChIKey is MHDQCZOSFOYGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-9-5-10-12(11(16)6-9)17(14(19)13(10)18)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2.
What are the key properties of 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione?
1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione has a molecular weight of 265.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione is sourced from PubChem (CID 61356320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).