(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone

C13H15FN2O — CID 113235710

IUPAC(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCc2ccc(F)cc21
InChIInChI=1S/C13H15FN2O/c14-10-4-3-9-5-7-16(12(9)8-10)13(17)11-2-1-6-15-11/h3-4,8,11,15H,1-2,5-7H2
InChIKeyWXCJLKVHYFUQAW-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.47
Rot. Bonds1

About (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone

(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone (PubChem CID 113235710) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
PubChem CID113235710
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCc2ccc(F)cc21
InChIInChI=1S/C13H15FN2O/c14-10-4-3-9-5-7-16(12(9)8-10)13(17)11-2-1-6-15-11/h3-4,8,11,15H,1-2,5-7H2
InChIKeyWXCJLKVHYFUQAW-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
CID 119324720
(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119280340
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119310101
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
CID 103953312
(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103810197
[2-(aminomethyl)cyclopentyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103822177
(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 103822175
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
CID 103499981
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone (CID 113235710) is (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CCc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is WXCJLKVHYFUQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-10-4-3-9-5-7-16(12(9)8-10)13(17)11-2-1-6-15-11/h3-4,8,11,15H,1-2,5-7H2.
What are the key properties of (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone?
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 234.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 113235710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).