(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone

C13H13FN2O — CID 84695539

IUPAC(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)C1CCNC1
InChIInChI=1S/C13H13FN2O/c14-9-1-2-10-11(7-16-12(10)5-9)13(17)8-3-4-15-6-8/h1-2,5,7-8,15-16H,3-4,6H2
InChIKeyLLKWRCYULZGUSQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.10
Rot. Bonds2

About (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone

(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone (PubChem CID 84695539) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
PubChem CID84695539
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)C1CCNC1
InChIInChI=1S/C13H13FN2O/c14-9-1-2-10-11(7-16-12(10)5-9)13(17)8-3-4-15-6-8/h1-2,5,7-8,15-16H,3-4,6H2
InChIKeyLLKWRCYULZGUSQ-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 66809624
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 104518074
(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 138596030
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
piperidin-3-yl(1H-pyrrolo[2,3-c]pyridin-3-yl)methanone
CID 84692750
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone (CID 84695539) is (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone is O=C(c1c[nH]c2cc(F)ccc12)C1CCNC1.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is LLKWRCYULZGUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-9-1-2-10-11(7-16-12(10)5-9)13(17)8-3-4-15-6-8/h1-2,5,7-8,15-16H,3-4,6H2.
What are the key properties of (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone?
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 232.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 84695539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).