6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione

C14H15FN2O2 — CID 80746568

IUPAC6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESCN(c1cc2c(cc1F)C(=O)C(=O)N2)C1CCCC1
InChIInChI=1S/C14H15FN2O2/c1-17(8-4-2-3-5-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h6-8H,2-5H2,1H3,(H,16,18,19)
InChIKeyVZWINMXECLYRGV-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.34
Rot. Bonds2

About 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione

6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione (PubChem CID 80746568) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
PubChem CID80746568
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESCN(c1cc2c(cc1F)C(=O)C(=O)N2)C1CCCC1
InChIInChI=1S/C14H15FN2O2/c1-17(8-4-2-3-5-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h6-8H,2-5H2,1H3,(H,16,18,19)
InChIKeyVZWINMXECLYRGV-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746677
6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80757870
6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758932
5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 79342508
5-chloro-6-[methyl(thiolan-3-yl)amino]-1H-indole-2,3-dione
CID 79336016
6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 81055874
6-[bis(prop-2-enyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746657
6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 43586415
5-fluoro-6-(4-propan-2-ylpiperidin-1-yl)-1H-indole-2,3-dione
CID 103496641
5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione
CID 80728311
5-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
CID 80728641
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione (CID 80746568) is 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione is CN(c1cc2c(cc1F)C(=O)C(=O)N2)C1CCCC1.
What is the InChIKey of 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione?
The InChIKey is VZWINMXECLYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-17(8-4-2-3-5-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h6-8H,2-5H2,1H3,(H,16,18,19).
What are the key properties of 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione?
6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione has a molecular weight of 262.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 80746568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).