1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione

C14H14FNO2 — CID 58101411

IUPAC1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC2CCCC2)c2c(F)cccc21
InChIInChI=1S/C14H14FNO2/c15-11-7-3-6-10-12(11)16(14(18)13(10)17)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyNWRZUPNYJINTCC-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.55
Rot. Bonds2

About 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione

1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione (PubChem CID 58101411) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione
PubChem CID58101411
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC2CCCC2)c2c(F)cccc21
InChIInChI=1S/C14H14FNO2/c15-11-7-3-6-10-12(11)16(14(18)13(10)17)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyNWRZUPNYJINTCC-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.55
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)-7-fluoroindole-2,3-dione?
The IUPAC name of 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione (CID 58101411) is 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione.
What is the SMILES notation for 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione?
The canonical SMILES for 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione is O=C1C(=O)N(CC2CCCC2)c2c(F)cccc21.
What is the InChIKey of 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione?
The InChIKey is NWRZUPNYJINTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-7-3-6-10-12(11)16(14(18)13(10)17)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2.
What are the key properties of 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione?
1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione has a molecular weight of 247.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione is sourced from PubChem (CID 58101411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).