(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone

C13H13FN2O2 — CID 66809624

IUPAC(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)C1CC(O)CN1
InChIInChI=1S/C13H13FN2O2/c14-7-1-2-9-10(6-16-11(9)3-7)13(18)12-4-8(17)5-15-12/h1-3,6,8,12,15-17H,4-5H2
InChIKeyLCMRQVZOZSKVGE-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.21
Rot. Bonds2

About (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone

(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 66809624) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID66809624
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)C1CC(O)CN1
InChIInChI=1S/C13H13FN2O2/c14-7-1-2-9-10(6-16-11(9)3-7)13(18)12-4-8(17)5-15-12/h1-3,6,8,12,15-17H,4-5H2
InChIKeyLCMRQVZOZSKVGE-UHFFFAOYSA-N
XLogP1.21
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(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
2,3-dihydro-1-benzofuran-2-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 43342069
(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 138596030
(2S)-2-amino-1-[(2S,4S)-2-(6-fluoro-1H-indole-3-carbonyl)-4-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 58525442
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788
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)-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone (CID 66809624) is (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone is O=C(c1c[nH]c2cc(F)ccc12)C1CC(O)CN1.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is LCMRQVZOZSKVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-7-1-2-9-10(6-16-11(9)3-7)13(18)12-4-8(17)5-15-12/h1-3,6,8,12,15-17H,4-5H2.
What are the key properties of (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 248.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 66809624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).