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'}

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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).